data_2lol_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 2lol _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 ' 4' ' ' THR . . . . . . . . . . . . . 95.1 m . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.831 0.348 . . . . 65.44 111.171 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -55.57 -36.6 67.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 73.32 110.828 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt -66.98 -21.82 65.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 72.22 110.87 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 38.6 mt -71.18 -37.64 67.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 74.24 111.138 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -63.95 -28.49 69.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 74.3 110.902 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -97.88 -20.06 17.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 55.35 110.915 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.9 tmmm? -88.53 -18.65 27.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 75.32 110.883 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.6 p -50.85 -37.56 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 74.32 111.137 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.6 tt -51.78 -41.42 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 74.31 111.105 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -73.62 -26.43 60.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 63.21 110.859 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 7.5 tpt -72.46 -62.43 1.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 65.3 110.883 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 99.0 t -56.54 -24.35 18.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 73.34 111.126 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.59 -23.46 53.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 64.41 111.134 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -102.5 -20.14 14.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.165 -0.47 . . . . 73.24 110.876 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.3 -53.49 16.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 73.52 110.891 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -114.87 20.7 14.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.445 . . . . 74.24 110.897 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 34.3 t-20 52.48 47.47 24.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 71.53 110.867 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.1 tptt -93.57 121.04 34.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 73.33 110.882 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -54.31 148.41 11.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 64.32 110.859 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.5 ptmt -58.92 -24.88 62.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 74.5 110.861 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.22 0.2 42.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 74.21 111.095 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 8.3 mt -117.05 -22.33 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 71.13 111.093 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.5 mm -50.83 107.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 74.53 111.129 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 34.7 p -128.69 158.57 38.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 72.05 111.146 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 70.2 p -61.43 -39.46 90.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 73.21 111.136 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -101.8 26.9 6.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 71.11 110.867 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.2 t -51.94 104.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 74.21 110.858 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 30.7 mtm180 -96.76 48.79 1.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 73.11 110.873 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.3 p90 -51.18 -31.51 20.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 73.1 110.84 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.5 tp -55.94 -42.47 71.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 75.31 111.102 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -91.02 -57.21 2.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 74.2 110.918 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.71 -55.65 21.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 73.11 110.897 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.98 -5.78 58.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 74.12 110.935 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.0 mmtm 51.22 56.4 8.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.486 . . . . 73.52 110.886 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.45 108.71 1.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 71.33 111.066 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -63.48 176.06 0.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 75.2 110.888 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 91.4 p -80.76 -51.14 8.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 70.14 110.834 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -58.97 -27.35 65.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 74.32 110.923 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -79.88 -46.08 17.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 63.44 110.798 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -57.8 -23.03 50.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 62.13 111.142 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 95.0 t -53.13 -54.09 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 73.12 111.12 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -83.67 -43.62 15.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 74.32 110.919 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 81.9 mt -52.24 -51.28 59.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 74.14 110.923 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 39.4 mtm -72.53 -25.95 61.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 73.32 110.903 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 12.5 tpt -66.64 -35.54 80.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 74.5 110.886 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.55 -21.78 53.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 72.01 111.1 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 41.0 mm -74.6 -23.39 17.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 73.54 111.074 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -83.41 -41.76 17.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 73.11 110.851 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.3 m -76.29 -19.85 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 74.21 111.14 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -85.17 -55.08 4.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 75.55 110.892 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -78.43 -25.32 45.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.464 . . . . 74.31 110.944 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 82.69 20.79 60.96 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.741 . . . . 74.52 112.473 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 18.0 pt -118.53 -176.85 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.798 0.332 . . . . 75.33 111.154 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -120.74 143.03 49.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 75.2 110.853 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 5.3 mp -143.62 95.38 5.86 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.672 0.748 . . . . 73.55 111.11 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 163.62 37.62 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.682 2.255 . . . . 72.21 112.318 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -51.47 -33.93 33.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 74.41 110.86 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -59.94 -36.37 76.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 51.33 110.931 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -105.99 11.87 31.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 75.3 110.896 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.89 -31.39 68.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 63.51 111.072 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.9 p -98.74 17.03 20.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 74.51 111.131 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.67 1.02 20.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 73.14 110.879 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -143.95 14.25 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 72.11 111.137 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.11 -45.67 47.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 75.31 110.855 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.67 160.82 22.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 73.43 111.196 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.0 t -65.77 -30.77 51.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 73.52 111.125 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 t -82.96 -28.04 30.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 74.32 110.907 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -83.23 -37.55 23.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.108 -0.496 . . . . 71.4 110.881 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.2 p -64.91 -38.58 83.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 74.42 111.125 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 41.8 mm -82.76 -24.75 8.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 75.32 111.096 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.65 -35.6 29.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 75.43 110.892 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -82.61 -62.37 1.63 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.234 -0.439 . . . . 72.44 110.902 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 60.4 mt -48.3 -31.85 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 53.5 111.164 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -58.26 -60.01 4.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 75.33 110.886 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -69.74 -24.18 63.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 74.13 110.913 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.18 -32.26 64.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 75.5 110.924 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 55.1 mm-40 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 72.43 110.962 179.975 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 98.5 m . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.77 0.319 . . . . 74.22 111.113 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -54.76 -31.75 59.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 72.41 110.834 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.32 -29.92 68.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 74.1 110.896 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 56.4 mt -60.43 -40.11 83.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 62.54 111.118 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -50.85 -41.07 57.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 75.14 110.925 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -90.76 -19.84 23.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 74.42 110.894 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.7 ttpt -74.22 -18.32 60.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 74.51 110.925 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.3 p -51.14 -37.44 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 72.2 111.139 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.1 tt -59.09 -38.03 71.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 71.22 111.133 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -75.65 -22.09 57.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 75.23 110.88 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 7.6 tpt -82.69 -61.7 1.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 63.51 110.906 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 92.4 t -56.07 -24.5 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 74.05 111.133 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.6 -23.53 58.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 74.35 111.085 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -103.98 -22.95 13.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 74.33 110.853 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.69 -54.77 22.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 74.44 110.91 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.03 20.86 14.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 72.45 110.927 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 52.19 50.07 19.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 64.24 110.871 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.74 123.09 39.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 72.34 110.878 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -55.2 147.24 16.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 75.42 110.874 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -59.6 -20.58 56.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 62.45 110.91 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.92 1.57 53.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 73.31 111.103 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 9.7 mt -118.55 -21.15 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 74.31 111.103 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 48.2 mm -49.37 107.04 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 74.12 111.164 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 61.1 p -106.92 178.88 4.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 73.22 111.123 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 72.0 p -89.13 -21.08 23.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 73.02 111.093 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -90.18 -23.38 21.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.277 -0.42 . . . . 74.2 110.87 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 48.31 75.33 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 51.55 110.852 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -103.73 30.85 4.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 74.12 110.854 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 10.7 p90 -51.96 -32.4 33.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 72.14 110.917 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.4 tp -55.92 -42.33 70.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 75.41 111.124 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -90.94 -57.01 2.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 74.13 110.891 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -52.68 -55.65 21.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 73.24 110.867 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.77 -10.64 59.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 64.52 110.948 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.9 tmtt? 57.13 46.17 19.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 65.45 110.936 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.98 147.46 52.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 65.23 111.099 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -93.03 173.92 7.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 70.34 110.863 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 53.0 p -80.5 -40.43 26.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 61.22 110.84 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -73.19 -21.76 60.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 75.01 110.92 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -80.79 -39.84 26.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 71.33 110.867 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -56.55 -23.97 43.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.145 -0.48 . . . . 74.53 111.13 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 83.7 t -53.04 -52.44 29.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 74.32 111.134 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -83.59 -44.17 14.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 72.24 110.898 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 94.1 mt -51.91 -44.45 63.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 74.2 110.901 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 52.7 mtm -78.4 -29.93 47.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 74.02 110.92 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.4 tpt -55.52 -32.08 62.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 73.33 110.861 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.11 -18.71 59.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 75.44 111.122 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 40.2 mm -77.7 -23.65 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 74.05 111.168 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -83.65 -41.11 18.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 71.32 110.883 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.5 m -74.47 -21.83 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 72.21 111.15 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -84.77 -55.26 4.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 75.24 110.839 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -75.19 -25.24 58.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 74.43 110.93 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 74.53 15.71 80.37 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.774 -0.727 . . . . 74.04 112.465 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 45.0 pt -110.78 -175.52 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.825 0.345 . . . . 73.34 111.113 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -119.01 134.81 54.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 65.04 110.886 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.7 mp -137.47 95.75 11.28 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.613 0.72 . . . . 75.3 111.178 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 163.85 36.72 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.651 2.234 . . . . 73.53 112.388 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -50.41 -40.5 50.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.293 -0.412 . . . . 64.53 110.91 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -54.61 -36.66 64.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 75.54 110.865 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -106.15 11.9 30.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 74.35 110.886 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.04 -15.5 62.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 75.04 111.113 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 70.4 p -106.61 17.59 23.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.211 -0.45 . . . . 55.2 111.142 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.5 mmmt -119.52 7.43 11.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 75.01 110.879 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -143.82 14.28 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 73.14 111.074 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.31 -44.86 50.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 72.15 110.907 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.84 160.41 22.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 75.42 111.158 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 98.1 t -65.71 -30.9 51.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 72.12 111.089 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.2 t -83.23 -28.04 29.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 71.53 110.894 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -83.14 -37.2 24.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 74.4 110.85 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.2 p -64.97 -38.27 82.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 62.45 111.089 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 40.3 mm -83.16 -25.12 8.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 74.42 111.154 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.7 -34.94 30.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 74.33 110.895 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -82.86 -62.12 1.69 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 74.21 110.875 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 64.8 mt -48.22 -37.18 6.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 73.53 111.144 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.1 tttp -51.52 -39.52 57.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 73.54 110.916 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.38 -17.69 26.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 74.21 110.879 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.17 -46.68 49.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 75.52 110.861 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 73.23 110.855 -179.902 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.3 m . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.8 0.333 . . . . 72.53 111.128 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -103.96 -41.16 5.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 75.42 110.838 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.8 mmtp -67.09 -31.37 71.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 75.33 110.908 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 71.4 mt -56.02 -31.56 31.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 75.53 111.149 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -61.35 -66.88 0.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 74.44 110.859 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -64.43 -19.98 65.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 72.33 110.913 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.6 ttpp -77.55 -4.61 46.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 75.1 110.904 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.8 p -66.78 -28.63 43.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 70.41 111.123 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.1 tt -69.58 -38.35 76.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 71.43 111.099 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -76.84 -20.8 55.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.453 . . . . 74.2 110.875 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 8.0 tpt -78.02 -62.61 1.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 72.41 110.852 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 64.8 t -58.42 -24.4 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 74.43 111.116 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.67 -23.25 60.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 74.33 111.131 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -103.54 -33.36 9.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 71.43 110.902 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.47 -55.28 23.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 73.44 110.931 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.12 20.6 14.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 74.4 110.929 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.2 m120 51.49 42.29 29.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 74.3 110.909 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.2 tptm -86.13 125.16 33.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 73.42 110.938 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -58.57 151.34 20.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 64.0 110.86 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 37.7 mtpt -59.11 -25.19 63.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 73.44 110.865 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.53 -1.13 40.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 74.03 111.125 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 7.6 mt -116.01 -21.92 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 74.14 111.171 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 37.4 mm -50.99 110.56 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 74.13 111.096 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.8 p -142.95 142.4 31.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 74.33 111.153 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.7 t -55.99 -31.86 63.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 72.44 111.115 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -100.71 25.12 8.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.274 -0.421 . . . . 75.12 110.912 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.7 p -59.57 140.96 55.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.472 . . . . 75.03 110.866 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 59.9 mtm180 -130.01 49.22 2.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 75.24 110.861 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -50.53 -32.53 18.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 74.13 110.905 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.3 tp -55.65 -43.93 74.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 71.33 111.107 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -91.11 -57.23 2.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 71.25 110.843 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -52.67 -55.58 21.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 72.21 110.85 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.2 tp -81.75 -6.22 58.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 75.22 110.92 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? 51.5 55.72 8.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 75.25 110.911 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.96 112.12 3.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 75.13 111.106 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -56.53 175.56 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 72.32 110.866 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.2 t -77.07 -54.94 5.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 54.23 110.89 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -61.36 -24.39 66.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 74.4 110.928 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -81.21 -49.13 11.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 70.45 110.865 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.1 p -52.63 -52.24 56.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 75.02 111.121 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.8 m -50.74 -32.68 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 73.23 111.089 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -83.97 -37.13 22.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 72.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.4 mt -66.9 -56.33 10.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 64.31 110.932 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 32.8 mtm -61.07 -31.48 71.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 71.41 110.897 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 11.3 tpt -52.41 -40.5 62.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 74.22 110.885 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.72 -29.6 59.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 73.34 111.093 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 46.0 mm -64.83 -23.14 32.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 74.12 111.143 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -82.71 -46.37 13.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 72.02 110.902 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.0 m -76.18 -16.45 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 74.11 111.08 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -81.85 -55.06 4.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 71.32 110.897 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -82.16 -25.03 34.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 75.33 110.932 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 87.73 30.5 18.04 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.721 -0.752 . . . . 74.42 112.469 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 17.6 pt -125.2 -178.37 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.795 0.331 . . . . 75.21 111.157 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -121.6 136.57 54.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 64.22 110.831 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.4 mp -140.11 95.44 8.45 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.675 0.75 . . . . 74.43 111.161 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 163.67 37.42 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.664 2.243 . . . . 71.05 112.297 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -51.39 -36.09 41.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 74.43 110.891 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -58.66 -35.99 73.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 75.21 110.843 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -105.93 11.76 31.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 75.43 110.879 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.7 -14.27 62.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 53.24 111.092 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 23.4 p -107.01 17.06 23.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 75.44 111.178 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.0 mmtm -119.11 8.45 11.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 65.04 110.881 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -144.56 14.15 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 71.41 111.148 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.4 tttt -73.45 -55.15 6.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 74.24 110.881 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.63 146.49 42.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 72.53 111.154 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 57.9 t -53.03 -31.47 17.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 64.31 111.143 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.4 t -77.05 -33.04 57.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 75.24 110.885 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -83.19 -22.73 33.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 75.11 110.863 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 77.3 t -60.44 -66.35 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 74.01 111.154 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 29.6 mm -66.06 -39.2 83.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 75.32 111.151 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.63 -53.77 50.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 75.23 110.913 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -73.49 -55.76 5.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.216 -0.447 . . . . 73.15 110.949 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 86.5 mt -49.78 -28.32 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 74.53 111.141 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 18.4 ttmm -59.71 -66.5 0.5 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 75.11 110.896 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -61.9 -26.48 68.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 71.42 110.842 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.47 -31.3 63.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 74.44 110.869 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 72.21 110.947 -179.947 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.9 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.786 0.327 . . . . 75.35 111.151 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -110.73 -48.81 3.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 75.22 110.861 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.83 -35.47 63.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 74.32 110.9 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 63.0 mt -53.89 -33.25 23.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 74.34 111.164 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -54.06 -66.54 0.38 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 74.44 110.904 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -68.85 -23.8 64.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 72.13 110.882 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.9 tmmm? -68.67 -12.94 62.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 65.34 110.902 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.6 p -57.11 -29.67 32.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 75.32 111.111 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.1 tt -64.96 -38.23 82.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 74.53 111.099 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -76.22 -20.78 57.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 72.23 110.908 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 6.8 tpt -82.21 -61.9 1.77 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 72.52 110.885 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 94.2 t -52.91 -39.66 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 71.41 111.108 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.68 -23.8 53.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 72.33 111.093 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -105.49 -20.42 13.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 71.04 110.898 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.1 ttmt -65.24 -56.64 11.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 74.32 110.907 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.83 18.18 15.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 71.21 110.905 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 33.5 t30 56.01 55.7 6.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 75.43 110.899 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.45 121.0 41.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 63.34 110.886 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -50.94 145.73 6.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 71.53 110.838 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.6 ptpt -58.82 -24.39 61.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 65.3 110.879 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.74 1.58 38.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 61.34 111.109 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 9.4 mt -118.87 -22.49 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 75.24 111.144 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.4 mm -50.05 117.92 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 74.3 111.136 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 12.0 p -137.55 149.51 46.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.182 -0.463 . . . . 73.43 111.129 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 79.9 p -52.2 -39.82 60.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 44.23 111.149 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -100.98 29.38 4.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 73.52 110.854 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.1 t -49.66 118.39 2.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 73.25 110.865 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 67.8 mtm180 -109.38 50.11 0.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 64.32 110.896 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -48.67 -33.41 9.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 73.03 110.885 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.4 tp -56.0 -43.58 75.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 75.01 111.125 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -91.04 -56.84 3.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 72.0 110.859 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -53.64 -55.71 23.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 54.23 110.914 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.4 tp -82.47 -3.58 56.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 75.14 110.97 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.8 tptm 51.14 52.35 15.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 74.43 110.939 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.18 114.54 3.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 64.42 111.105 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -54.95 176.04 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 75.1 110.837 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.9 m -85.95 -40.32 15.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 64.31 110.859 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -74.8 -27.05 60.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 64.15 110.911 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -82.19 -40.07 22.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 74.31 110.914 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -51.37 -54.4 26.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 72.54 111.165 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 10.2 p -50.32 -30.57 7.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 62.22 111.167 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -84.15 -40.05 18.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 73.32 110.898 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.9 mt -66.09 -56.4 11.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 74.4 110.922 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 33.8 mtm -59.77 -32.92 71.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 75.24 110.913 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 10.2 tpt -52.81 -35.64 57.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 74.25 110.897 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.75 -33.45 66.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 71.23 111.135 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 38.8 mm -60.91 -23.96 31.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 72.35 111.15 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -81.66 -50.36 9.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 62.23 110.902 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.6 m -71.94 -16.17 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 72.31 111.102 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -85.43 -55.04 4.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 73.02 110.942 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -76.78 -25.27 53.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 74.4 110.879 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.77 18.67 59.46 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.738 . . . . 71.54 112.519 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 15.8 pt -113.04 -178.29 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.853 0.359 . . . . 64.3 111.127 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -118.34 144.71 45.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 74.35 110.867 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 5.3 mp -144.6 95.49 5.36 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.625 0.726 . . . . 73.33 111.108 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 163.68 37.4 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.665 2.243 . . . . 64.54 112.358 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -51.43 -36.21 42.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.205 -0.452 . . . . 72.34 110.872 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -58.49 -35.54 72.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 74.34 110.83 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -106.02 11.9 31.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 74.25 110.858 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.99 -27.53 68.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 71.01 111.117 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.4 p -101.18 17.43 22.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 73.12 111.11 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.12 3.42 20.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 64.11 110.885 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -144.0 14.2 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 73.43 111.123 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.05 -52.48 16.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 74.22 110.929 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -79.93 146.47 32.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 73.32 111.163 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.2 t -53.66 -28.44 16.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 73.32 111.154 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.5 p -78.95 -33.51 45.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 73.33 110.831 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -82.85 -22.78 33.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 74.4 110.822 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 95.5 t -61.28 -66.31 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 70.21 111.089 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 32.7 mm -67.08 -23.9 31.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 75.5 111.143 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.88 -54.33 16.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 74.34 110.929 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -75.54 -54.25 7.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 74.45 110.945 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 70.3 mt -48.89 -28.76 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 72.34 111.166 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 51.9 tttt -61.71 -66.33 0.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 75.1 110.889 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -60.58 -26.87 67.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 71.01 110.873 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.22 -34.62 66.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 74.52 110.853 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 41.3 mm-40 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 71.13 110.882 -179.912 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 28.6 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.778 0.323 . . . . 63.11 111.157 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -51.62 -41.34 61.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 74.41 110.871 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.76 -39.91 74.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 73.54 110.923 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 70.2 mt -54.02 -35.54 28.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 75.43 111.127 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -52.67 -53.01 53.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 54.23 110.895 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.16 -20.06 38.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 75.33 110.947 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -78.84 -4.72 50.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 75.12 110.864 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.3 p -66.58 -29.66 47.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 73.12 111.115 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.1 tt -71.8 -37.25 61.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 62.23 111.179 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -74.04 -22.94 59.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 74.11 110.917 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 7.8 tpt -74.71 -62.62 1.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 72.4 110.869 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.5 t -53.58 -39.52 37.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 73.52 111.172 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.22 -23.32 62.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 71.12 111.134 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -103.44 -23.17 13.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 73.35 110.852 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.4 tmtm? -61.73 -57.31 12.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 74.44 110.879 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.8 20.82 14.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 75.55 110.885 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 54.6 62.8 2.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 72.21 110.887 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.7 126.22 54.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 73.13 110.946 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -58.81 151.8 20.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.437 . . . . 64.53 110.896 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.9 -19.3 50.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 74.22 110.86 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.66 1.58 54.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.416 . . . . 73.21 111.098 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 9.3 mt -117.94 -21.36 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 70.11 111.108 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.1 mm -50.69 111.43 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 74.5 111.117 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 12.9 p -115.63 162.02 17.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 74.43 111.159 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 72.4 p -69.98 -28.41 65.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 72.42 111.127 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -79.84 -22.6 42.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 70.21 110.866 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.2 m 52.28 69.21 0.7 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 65.35 110.826 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 50.0 mtp180 -99.46 33.24 2.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.053 -0.521 . . . . 74.22 110.897 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -51.35 -32.55 26.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 72.04 110.858 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.4 tp -55.84 -42.87 72.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 74.15 111.091 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 57.6 tt0 -91.06 -57.15 2.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 72.23 110.905 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -52.91 -55.63 21.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 64.34 110.885 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.12 -5.24 58.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 72.35 110.893 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp 51.14 56.71 7.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 74.12 110.898 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.92 156.17 25.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 71.03 111.118 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -100.87 175.81 5.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 73.34 110.837 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.1 t -79.89 -54.63 5.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 73.33 110.888 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -68.36 -22.12 64.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 71.32 110.921 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -76.69 -47.28 22.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 72.13 110.845 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -54.52 -26.16 30.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 74.54 111.1 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 46.8 t -59.5 -48.78 86.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 62.15 111.121 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -83.55 -34.81 25.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 71.52 110.916 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 89.9 mt -64.0 -57.92 8.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 71.01 110.922 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 37.8 mtm -58.44 -24.03 59.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 71.33 110.868 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 9.6 tpt -71.5 -35.8 70.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.424 . . . . 74.33 110.874 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.26 -33.75 63.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 74.13 111.1 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 38.0 mm -61.84 -23.44 31.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 74.42 111.097 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -81.89 -48.02 12.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 62.32 110.856 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.0 m -74.43 -16.98 16.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 74.12 111.126 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -82.2 -55.14 4.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 73.4 110.879 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -80.08 -25.13 40.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 73.34 110.929 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 89.4 29.87 15.53 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.71 -0.757 . . . . 65.42 112.482 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 16.7 pt -132.05 -177.75 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.817 0.341 . . . . 70.41 111.098 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -122.61 139.39 53.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 63.42 110.84 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.404 ' HA ' ' HD2' ' A' ' 59' ' ' PRO . 4.7 mp -141.14 95.43 7.48 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.654 0.74 . . . . 74.41 111.162 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 58' ' ' ILE . 53.9 Cg_endo -69.7 163.7 37.23 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.7 2.267 . . . . 72.43 112.347 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -51.59 -30.79 22.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 65.52 110.825 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -63.54 -37.12 86.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.472 . . . . 74.13 110.897 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -105.15 11.9 32.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 75.05 110.884 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.81 -22.71 48.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 72.12 111.147 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 16.9 p -96.15 -8.28 33.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 62.41 111.138 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.82 -7.55 59.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 64.14 110.87 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -144.04 15.44 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 74.23 111.159 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.1 tttm -70.32 -45.91 65.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 73.43 110.909 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -89.57 146.41 24.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 73.55 111.149 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 93.4 t -54.31 -26.18 15.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 62.32 111.129 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.8 t -79.96 -34.7 38.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 64.54 110.875 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -83.07 -22.48 33.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 74.25 110.867 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 80.6 t -60.24 -65.97 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 73.03 111.123 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 25.2 mm -68.28 -24.78 30.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.464 . . . . 71.02 111.114 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? -70.43 -46.56 63.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 74.41 110.88 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -82.48 -56.28 3.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 71.24 110.911 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 64.7 mt -48.07 -31.39 2.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 75.23 111.129 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.2 tttt -51.91 -66.91 0.3 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 75.54 110.922 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -67.67 -20.4 65.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.439 . . . . 73.54 110.884 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.14 -28.39 62.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 72.4 110.859 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 72.45 110.906 -179.936 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 40.0 m . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.786 0.327 . . . . 75.04 111.109 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -136.03 -54.0 0.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 73.54 110.861 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -56.46 -25.57 51.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 74.11 110.903 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.2 mt -60.87 -31.84 50.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 74.52 111.125 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -58.01 -38.75 76.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 74.13 110.894 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -91.97 -28.56 17.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 73.04 110.875 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.1 ttmt -65.11 -17.55 64.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 71.31 110.897 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.8 p -51.41 -30.22 10.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 75.2 111.116 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.5 tt -64.93 -38.69 83.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 74.43 111.095 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -74.3 -22.77 59.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 73.13 110.893 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 8.2 tpt -81.08 -62.12 1.76 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 74.31 110.859 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 57.8 t -56.42 -24.51 18.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 75.32 111.136 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.81 -23.28 55.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 74.33 111.098 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -104.25 -17.25 14.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 72.45 110.875 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.76 -57.84 5.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 73.25 110.925 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.96 20.73 14.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.283 -0.417 . . . . 65.32 110.925 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 54.9 52.83 11.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 70.43 110.894 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.39 120.96 39.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 74.24 110.904 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.81 154.42 29.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 70.13 110.899 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.4 ptmm? -57.72 -22.94 49.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 74.21 110.934 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.88 -6.34 52.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 64.31 111.098 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 4.5 mp -117.13 -23.19 4.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 70.35 111.152 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 43.9 mm -49.88 104.33 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.476 . . . . 74.11 111.076 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 37.2 p -129.44 148.49 51.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 73.33 111.192 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 48.5 p -55.17 -25.96 35.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.432 . . . . 63.54 111.144 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -118.47 28.9 8.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 73.11 110.898 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.76 108.44 0.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 74.24 110.849 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 -102.21 49.23 0.86 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 74.41 110.864 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -50.83 -31.88 18.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 73.34 110.889 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.5 tp -55.87 -42.23 69.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 72.24 111.104 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -90.82 -57.19 2.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 73.11 110.886 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -52.45 -55.56 21.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 74.52 110.907 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.3 tt -81.79 -6.55 59.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 74.21 110.898 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp 50.93 54.5 11.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 75.04 110.881 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.03 126.88 28.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 62.23 111.127 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -55.51 176.07 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 54.13 110.895 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.8 t -98.28 -26.63 14.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 71.14 110.889 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -80.89 -30.15 35.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 75.14 110.949 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -81.86 -34.53 30.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.483 . . . . 73.42 110.883 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -50.87 -48.98 60.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 73.44 111.161 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 17.7 m -50.02 -31.71 7.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 75.54 111.133 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -84.61 -41.44 16.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.136 -0.484 . . . . 73.51 110.87 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.5 mt -62.91 -53.64 51.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.466 . . . . 75.33 110.939 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 29.4 mtm -62.05 -35.3 78.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 75.51 110.868 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 9.8 tpt -52.1 -41.57 62.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 75.1 110.884 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.17 -34.26 60.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 73.32 111.139 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 42.1 mm -62.73 -23.26 32.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 74.43 111.088 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -81.65 -45.21 16.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 72.14 110.919 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.4 m -77.6 -16.07 14.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 72.21 111.136 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -84.48 -55.08 4.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 65.1 110.9 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -82.8 -25.13 33.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 75.33 110.896 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 73.69 38.04 51.11 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.773 -0.727 . . . . 71.12 112.493 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 11.2 pt -120.33 179.68 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.878 0.37 . . . . 75.13 111.082 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -115.33 135.03 54.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 73.24 110.853 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 5.3 mp -144.88 95.52 5.22 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.631 0.729 . . . . 74.33 111.118 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 163.71 37.28 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.677 2.252 . . . . 73.2 112.357 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -51.4 -33.93 32.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 64.24 110.901 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -60.53 -36.37 78.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 73.35 110.846 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -106.07 11.85 31.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 75.13 110.898 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.39 -22.14 60.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 75.11 111.079 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 10.2 t -106.82 13.12 28.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 73.32 111.14 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -103.42 2.93 34.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 75.33 110.891 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -143.7 13.27 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 74.23 111.173 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.1 ttpt -72.32 -53.37 12.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 74.23 110.896 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -78.77 146.89 33.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 74.44 111.153 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 27.7 t -55.1 -27.01 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 74.11 111.142 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 27.2 t -77.48 -36.23 52.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 74.22 110.857 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.86 -21.73 34.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 71.25 110.869 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 75.5 t -60.61 -66.13 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 71.23 111.138 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 46.9 mm -68.58 -24.52 29.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 74.31 111.126 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.95 -46.74 61.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 73.11 110.932 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -80.26 -57.47 3.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 75.42 110.897 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 53.3 mt -50.44 -25.96 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 74.12 111.17 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.3 ttpt -50.07 -61.64 2.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 73.45 110.874 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -76.38 -16.24 59.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 60.34 110.9 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.14 -36.57 66.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 65.33 110.862 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 73.13 110.919 -179.974 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.8 m . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.763 0.316 . . . . 75.5 111.112 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -117.91 -34.89 4.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.44 . . . . 72.44 110.836 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -80.37 -14.63 58.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 73.25 110.935 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 17.8 mt -72.0 -29.98 35.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 73.44 111.147 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -66.35 -39.41 89.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 74.11 110.875 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -88.87 -19.91 25.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 73.24 110.926 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -87.18 -22.1 25.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 75.44 110.924 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.8 p -54.03 -29.95 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 74.41 111.173 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.6 tt -56.09 -40.38 63.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.486 . . . . 74.43 111.162 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -77.88 -24.36 48.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.149 -0.478 . . . . 73.11 110.898 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 8.0 tpt -71.63 -62.39 1.43 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 74.23 110.928 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 97.6 t -56.72 -24.17 18.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.461 . . . . 73.44 111.137 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.03 -23.56 55.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 73.43 111.083 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -104.1 -17.39 14.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 53.31 110.879 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.18 -57.46 5.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 74.34 110.895 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.84 20.66 14.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 74.24 110.908 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 55.4 62.94 2.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 74.42 110.907 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.36 120.81 43.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 73.53 110.88 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -56.8 155.39 7.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 73.34 110.83 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -55.75 -33.56 64.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 74.42 110.923 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.89 -19.27 61.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 73.21 111.079 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 13.2 mm -92.43 -26.87 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 53.23 111.124 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.8 mm -51.0 116.45 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 75.25 111.152 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.7 t -153.17 158.44 41.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 74.31 111.173 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.0 t -71.27 -11.26 60.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 74.21 111.134 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -117.03 22.72 12.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 61.11 110.845 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.2 p -56.92 129.46 41.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 70.51 110.844 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -120.74 47.41 1.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.495 . . . . 74.25 110.885 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -49.94 -32.97 16.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 74.55 110.903 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.4 tp -56.01 -43.95 76.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 72.01 111.116 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -91.25 -57.2 2.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 75.14 110.92 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -53.35 -55.6 23.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.141 -0.481 . . . . 74.2 110.873 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -83.3 -2.31 55.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 75.3 110.891 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 51.03 51.06 17.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 74.43 110.883 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.23 109.46 1.33 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 71.1 111.09 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -65.86 160.14 23.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 65.32 110.868 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 40.2 t -65.73 -56.14 13.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 73.22 110.852 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -57.65 -27.41 62.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 74.12 110.913 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -80.22 -48.48 13.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 72.04 110.856 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 p -56.54 -25.54 52.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.462 . . . . 74.22 111.139 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 63.1 t -60.08 -48.59 87.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 74.22 111.071 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -83.12 -34.44 26.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 73.54 110.86 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 89.6 mt -64.28 -56.84 11.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 74.12 110.944 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 63.6 mtm -63.59 -31.23 72.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 74.02 110.907 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 9.0 tpt -52.02 -36.59 50.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 73.52 110.85 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.78 -30.05 55.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 72.11 111.086 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 43.2 mm -64.55 -23.18 32.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 73.31 111.145 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -82.46 -46.16 13.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 55.43 110.852 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.5 m -76.2 -18.51 15.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.476 . . . . 75.2 111.146 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -81.29 -54.91 5.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 74.51 110.899 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -80.92 -25.23 37.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 75.13 110.953 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 88.65 27.4 24.62 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 74.41 112.507 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 19.8 pt -125.48 -178.35 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.803 0.335 . . . . 72.11 111.151 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -119.33 137.0 54.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.461 . . . . 72.03 110.878 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.413 ' HA ' ' HD2' ' A' ' 59' ' ' PRO . 5.0 mp -142.79 95.98 6.19 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.62 0.724 . . . . 74.52 111.141 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 58' ' ' ILE . 54.1 Cg_endo -69.74 163.91 36.5 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.673 2.249 . . . . 73.32 112.375 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -50.28 -38.31 40.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.284 -0.417 . . . . 72.42 110.898 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -56.34 -37.89 70.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 73.15 110.867 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -106.04 12.23 30.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 75.4 110.941 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.07 -11.96 59.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 74.03 111.143 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 38.3 p -106.39 -7.69 17.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.199 -0.455 . . . . 74.51 111.148 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 50.8 mmtt -88.1 6.4 36.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 73.14 110.9 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -144.39 14.3 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 73.05 111.146 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.15 -50.51 32.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 73.14 110.894 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.55 146.68 28.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 75.35 111.171 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.5 t -53.58 -30.06 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 70.22 111.126 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.0 t -77.95 -32.22 51.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 64.44 110.843 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.15 -23.97 32.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.144 -0.48 . . . . 74.12 110.855 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 86.7 t -61.11 -65.93 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 73.23 111.078 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 27.0 mm -66.62 -24.13 32.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 73.32 111.15 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.08 -50.78 37.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 75.44 110.866 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -78.87 -55.14 5.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 73.12 110.897 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 60.6 mt -49.79 -28.12 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.48 . . . . 75.32 111.129 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.8 ttpt -53.06 -66.54 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 74.15 110.914 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -68.28 -19.82 64.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 74.4 110.873 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.02 -33.33 65.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 74.32 110.897 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 38.3 mm-40 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 72.54 110.93 -179.949 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.788 0.328 . . . . 74.4 111.141 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -100.29 -41.15 7.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 75.41 110.861 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.65 -32.84 73.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 70.03 110.934 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 67.7 mt -57.99 -32.93 44.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 71.23 111.136 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -54.52 -49.76 69.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 63.25 110.866 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -86.5 -20.08 28.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 70.54 110.933 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.4 ttmm -77.02 -4.94 46.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 72.42 110.917 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.2 p -66.18 -32.09 56.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 74.12 111.159 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.2 tt -67.88 -37.54 78.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 73.35 111.131 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -73.88 -22.13 59.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 63.41 110.897 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 7.2 tpt -80.77 -62.58 1.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 75.35 110.839 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 57.7 t -56.08 -24.7 18.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.27 -0.423 . . . . 73.2 111.164 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.85 -23.41 61.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 74.45 111.098 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -105.24 -28.91 10.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 74.53 110.926 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.56 -57.27 12.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.457 . . . . 75.31 110.913 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.61 20.57 14.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 75.44 110.885 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 52.63 64.57 1.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 74.23 110.898 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -112.01 125.25 53.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 75.54 110.896 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -56.04 147.8 19.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.433 . . . . 73.3 110.885 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.16 -24.3 62.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 65.13 110.88 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.94 0.1 46.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.421 . . . . 73.54 111.08 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 8.6 mt -117.17 -21.96 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 75.5 111.123 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.1 mm -50.46 121.74 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 75.34 111.116 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -148.96 145.62 27.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 71.21 111.098 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.5 t -53.58 -35.91 61.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 74.1 111.163 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -99.77 25.58 7.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 75.31 110.859 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 m -55.56 124.92 18.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 72.51 110.874 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.21 48.73 0.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 75.24 110.897 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -50.14 -33.23 18.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 75.03 110.828 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.4 tp -55.47 -43.9 73.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 65.05 111.098 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -91.45 -57.25 2.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 54.42 110.883 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -52.96 -55.78 20.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 74.25 110.882 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.4 tp -82.04 -5.23 58.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 74.14 110.89 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.8 mmtm 51.03 62.51 2.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 72.23 110.87 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.96 110.01 4.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 74.42 111.117 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -51.97 169.45 0.07 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 64.3 110.863 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 50.8 m -76.43 -38.33 55.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 75.25 110.826 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.5 -10.51 59.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 73.33 110.929 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -80.74 -46.52 15.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 74.0 110.902 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -53.94 -27.63 32.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 73.01 111.096 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 48.2 t -52.72 -58.39 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.42 . . . . 71.42 111.158 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -81.94 -41.84 20.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 75.11 110.87 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 68.7 mt -52.08 -57.73 8.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 64.52 110.862 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 35.0 mtm -65.72 -34.73 78.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 74.4 110.832 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 10.9 tpt -55.7 -31.88 62.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 72.02 110.859 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.16 -18.9 51.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 65.24 111.147 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 41.5 mm -78.53 -23.82 13.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 75.31 111.125 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -83.69 -39.92 19.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 75.53 110.905 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.4 m -75.08 -21.58 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 74.41 111.179 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -84.93 -55.08 4.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 72.21 110.894 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -76.49 -24.52 53.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 74.42 110.959 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 70.87 38.25 65.39 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.733 -0.746 . . . . 75.12 112.532 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 14.7 pt -127.8 156.02 39.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.837 0.351 . . . . 74.14 111.151 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -85.07 117.96 24.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 73.11 110.894 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 72.7 mt -138.2 95.42 10.53 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.661 0.743 . . . . 73.02 111.127 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 164.11 35.79 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.655 2.237 . . . . 75.3 112.361 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -50.47 -38.69 45.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 74.22 110.826 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -55.48 -36.33 66.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 74.01 110.838 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -106.01 12.11 30.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 64.34 110.873 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.15 -11.06 60.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 74.41 111.112 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 65.3 p -105.15 -9.78 17.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 74.45 111.124 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 26.1 mttt -85.57 4.43 36.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 75.2 110.942 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -143.55 14.27 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 73.43 111.103 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 34.6 tttt -72.16 -45.65 59.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 72.02 110.844 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.68 162.86 19.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 72.43 111.135 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.1 t -66.93 -30.74 50.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 74.14 111.134 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.0 p -82.67 -27.92 30.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 74.22 110.899 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -83.61 -36.68 23.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 73.52 110.89 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.3 p -66.37 -37.93 80.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 74.11 111.146 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 41.8 mm -82.87 -25.85 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 74.15 111.116 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -81.98 -34.58 29.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 75.41 110.902 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -82.62 -62.75 1.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 75.34 110.934 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 60.3 mt -48.2 -32.71 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 72.32 111.112 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt -59.54 -47.99 83.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 75.11 110.931 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -80.1 -22.84 41.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 73.22 110.929 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.14 -46.42 51.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 75.52 110.902 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 44.6 mm-40 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 74.43 110.914 -179.957 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 96.1 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.785 0.326 . . . . 75.14 111.113 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -53.71 -42.67 68.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 75.04 110.869 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.68 -32.08 65.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 74.55 110.844 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 55.2 mt -60.42 -32.63 51.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 74.44 111.126 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -56.31 -52.8 63.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 74.01 110.86 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -80.43 -22.05 41.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 53.42 110.881 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -75.95 -5.79 47.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 74.2 110.905 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.2 p -64.35 -29.58 47.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 75.14 111.139 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.2 tt -64.67 -39.18 84.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 65.43 111.126 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -78.1 -24.89 47.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 73.52 110.85 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 9.1 tpt -72.56 -62.11 1.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 64.32 110.879 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 94.5 t -56.24 -24.46 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 74.1 111.136 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.02 -23.57 60.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 70.21 111.102 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -102.84 -32.66 9.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 73.0 110.903 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.73 -54.06 43.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 74.25 110.922 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.76 20.68 14.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 75.24 110.882 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 43.0 t30 52.23 41.74 30.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 61.12 110.879 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -85.23 126.1 33.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 75.05 110.939 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -58.35 150.11 22.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.42 . . . . 62.34 110.899 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.7 ptmm? -58.89 -25.5 63.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 74.11 110.886 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.01 0.69 39.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 63.24 111.101 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 8.5 mt -117.24 -21.68 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 73.33 111.157 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 34.2 mm -50.44 116.33 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 65.03 111.114 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.7 p -141.77 159.55 41.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 73.54 111.132 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.3 p -64.65 -37.98 89.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.218 -0.446 . . . . 64.25 111.16 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -101.67 29.02 5.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 73.31 110.865 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 90.1 p -51.46 112.0 0.67 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 70.22 110.86 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 30.8 mtt85 -105.67 49.4 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 75.24 110.853 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -49.78 -33.52 16.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 70.2 110.872 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.3 tp -55.04 -43.9 71.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 73.34 111.132 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -91.27 -57.23 2.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 75.33 110.892 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -52.54 -55.72 20.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 74.44 110.827 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.3 tp -81.13 -7.56 59.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 62.24 110.899 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? 51.16 53.86 12.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 75.01 110.909 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.7 131.9 48.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 60.52 111.11 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -55.88 176.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 65.3 110.9 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 36.9 t -87.37 -40.77 14.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 72.53 110.85 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.59 -11.94 58.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 72.11 110.947 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -82.79 -41.7 18.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 74.11 110.901 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.9 p -49.83 -53.76 23.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 72.14 111.109 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.4 m -50.2 -31.44 7.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 73.12 111.147 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -84.49 -38.74 19.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 74.03 110.896 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.2 mt -66.81 -57.45 7.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 72.23 110.932 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 34.9 mtm -59.16 -31.68 69.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 75.25 110.892 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 10.9 tpt -53.71 -37.03 62.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 74.04 110.868 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.62 -22.97 48.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 74.02 111.123 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 44.8 mm -71.58 -23.24 22.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 74.02 111.135 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -83.13 -45.56 13.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 74.24 110.872 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.8 m -73.64 -17.74 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 74.43 111.149 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -84.65 -55.03 4.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 73.13 110.856 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -77.31 -24.89 50.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 74.43 110.944 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 87.63 24.73 34.95 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.743 -0.741 . . . . 75.04 112.531 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 29.1 pt -120.9 -177.9 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.816 0.341 . . . . 74.43 111.134 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -118.18 140.55 49.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 74.42 110.88 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 60.4 mt -145.51 95.42 4.99 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.627 0.727 . . . . 73.11 111.098 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.86 163.65 37.55 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.671 2.248 . . . . 74.14 112.365 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -51.94 -35.34 45.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 62.11 110.828 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -58.84 -33.1 70.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 74.12 110.905 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -105.54 11.74 32.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 71.14 110.92 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.88 -11.02 60.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 71.32 111.075 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 68.9 p -106.89 15.64 25.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 74.14 111.164 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -119.83 8.58 11.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 73.45 110.928 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -143.45 13.95 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 73.51 111.111 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -71.68 -50.6 28.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 72.24 110.849 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.11 146.37 29.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 71.33 111.155 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 31.2 t -54.32 -27.15 16.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 71.32 111.12 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.5 p -79.82 -33.22 40.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 73.23 110.862 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.17 -22.73 33.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.478 . . . . 72.35 110.867 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 98.2 t -61.34 -66.44 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 74.24 111.106 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 35.2 mm -66.83 -24.06 32.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 75.43 111.168 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.7 tmtt? -70.88 -52.92 17.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 75.32 110.857 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -75.66 -55.36 5.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.283 -0.417 . . . . 63.53 110.911 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 68.4 mt -48.77 -29.81 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 75.2 111.131 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 36.0 tttt -58.43 -64.99 0.73 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 73.21 110.922 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -61.89 -23.83 66.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 73.41 110.861 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.11 -43.52 61.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 75.44 110.881 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 74.2 110.899 -179.931 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.0 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.787 0.327 . . . . 74.12 111.143 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -107.6 -33.47 7.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.445 . . . . 74.35 110.909 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.17 -22.52 60.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 73.3 110.901 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.3 mt -66.95 -40.09 84.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 74.43 111.125 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -58.2 -37.72 75.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 64.32 110.9 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -88.93 -21.05 23.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 73.51 110.912 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -82.82 -19.67 37.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 73.53 110.897 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.4 p -51.21 -30.49 10.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 70.45 111.108 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.4 tt -70.56 -37.98 71.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 75.42 111.168 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -73.87 -25.29 59.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 75.12 110.904 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.4 tpt -71.64 -62.45 1.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 75.03 110.836 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.2 t -55.61 -24.53 16.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 73.14 111.147 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.15 -25.15 62.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 74.41 111.122 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -105.46 -24.1 12.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 70.34 110.899 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.2 tttm -60.23 -57.94 10.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 71.02 110.907 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -116.08 20.7 14.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 72.13 110.906 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 53.52 58.57 5.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 72.25 110.902 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.5 121.01 42.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 75.24 110.947 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -55.92 154.99 6.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 75.24 110.879 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.2 ptpp? -58.62 -29.25 66.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 75.31 110.891 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.8 -3.77 52.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 75.21 111.129 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.9 mm -106.11 -26.95 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 72.33 111.147 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 43.3 mm -49.53 115.52 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 72.12 111.097 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -136.49 148.27 47.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 70.02 111.139 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 72.7 p -56.97 -44.33 82.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 74.21 111.176 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -103.17 28.82 5.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 73.21 110.887 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.7 t -51.88 134.5 31.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 73.54 110.884 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -122.96 49.46 1.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 73.3 110.866 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -49.73 -33.27 15.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 75.35 110.881 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.5 tp -56.52 -42.95 76.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 71.51 111.131 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -91.35 -57.28 2.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 73.11 110.856 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -53.9 -55.85 23.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 73.23 110.863 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.6 tp -81.72 -4.56 56.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 72.45 110.903 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.1 mmtt 50.93 58.35 5.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 74.42 110.852 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.07 120.6 11.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 75.21 111.121 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.95 157.67 1.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 51.42 110.893 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.0 t -79.72 -36.8 36.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 74.34 110.88 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -81.34 -26.21 35.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 74.21 110.882 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -82.2 -36.6 27.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 63.55 110.843 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -50.92 -51.03 56.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 75.35 111.163 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 10.9 p -50.1 -31.18 7.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 72.33 111.197 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -84.51 -37.98 20.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.104 -0.498 . . . . 74.51 110.881 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.9 mt -66.93 -53.76 28.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 73.51 110.907 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 28.8 mtm -63.59 -31.06 72.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 74.15 110.894 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 10.4 tpt -51.68 -37.74 51.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 74.01 110.891 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.75 -31.5 58.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 73.13 111.109 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 39.6 mm -64.66 -23.31 33.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 74.35 111.112 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -81.87 -44.41 16.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 74.02 110.902 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.8 m -78.39 -17.61 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 72.02 111.083 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -85.66 -55.15 4.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 74.41 110.848 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -82.55 -25.32 33.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.198 -0.456 . . . . 74.11 110.899 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 72.1 51.52 13.87 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.706 -0.759 . . . . 64.15 112.523 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 12.8 pt -138.89 -178.31 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.837 0.351 . . . . 73.15 111.125 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -120.3 138.7 53.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 75.05 110.883 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.8 mp -142.05 95.56 6.81 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.636 0.731 . . . . 73.53 111.17 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 163.94 36.46 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.658 2.239 . . . . 74.23 112.349 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.68 -36.52 36.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 62.11 110.85 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -58.51 -36.93 74.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 73.2 110.855 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -105.89 11.85 31.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 73.3 110.908 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.46 -36.38 64.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 74.15 111.059 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.9 t -96.38 17.56 15.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 73.54 111.123 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -100.98 -2.62 31.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 73.13 110.896 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -143.65 13.85 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 75.13 111.113 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.6 tmmm? -71.69 -50.3 31.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 72.22 110.878 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.67 146.69 28.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 64.13 111.186 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 49.3 t -54.05 -28.12 17.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.434 . . . . 72.31 111.121 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.52 -32.58 42.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 60.33 110.835 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -83.07 -23.65 33.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 71.25 110.844 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 91.4 t -60.82 -65.94 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 75.52 111.152 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 28.3 mm -66.87 -24.76 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 73.31 111.105 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.68 -50.9 39.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 71.5 110.901 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -78.44 -55.01 5.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.23 -0.441 . . . . 75.15 110.935 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 64.4 mt -50.56 -27.14 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 74.15 111.124 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.9 tttt -50.96 -63.66 1.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 75.3 110.884 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -72.91 -15.68 61.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.286 -0.416 . . . . 74.24 110.886 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.15 -25.48 60.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 73.42 110.894 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 58.6 mm-40 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 71.2 110.947 -179.955 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.7 mmt . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.755 0.312 . . . . 71.43 110.879 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.0 m -127.21 143.71 51.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 71.42 110.815 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.7 p -93.64 -24.38 17.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 73.25 111.124 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 95.1 m -52.52 -29.12 23.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 65.44 111.171 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -55.57 -36.6 67.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 73.32 110.828 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt -66.98 -21.82 65.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 72.22 110.87 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 38.6 mt -71.18 -37.64 67.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 74.24 111.138 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -63.95 -28.49 69.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 74.3 110.902 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -97.88 -20.06 17.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 55.35 110.915 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.9 tmmm? -88.53 -18.65 27.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 75.32 110.883 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.6 p -50.85 -37.56 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 74.32 111.137 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.6 tt -51.78 -41.42 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 74.31 111.105 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -73.62 -26.43 60.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 63.21 110.859 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 7.5 tpt -72.46 -62.43 1.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 65.3 110.883 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 99.0 t -56.54 -24.35 18.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 73.34 111.126 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.59 -23.46 53.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 64.41 111.134 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -102.5 -20.14 14.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.165 -0.47 . . . . 73.24 110.876 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.3 -53.49 16.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 73.52 110.891 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -114.87 20.7 14.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.445 . . . . 74.24 110.897 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 34.3 t-20 52.48 47.47 24.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 71.53 110.867 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.1 tptt -93.57 121.04 34.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 73.33 110.882 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -54.31 148.41 11.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 64.32 110.859 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.5 ptmt -58.92 -24.88 62.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 74.5 110.861 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.22 0.2 42.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 74.21 111.095 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 8.3 mt -117.05 -22.33 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 71.13 111.093 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.5 mm -50.83 107.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 74.53 111.129 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 34.7 p -128.69 158.57 38.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 72.05 111.146 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 70.2 p -61.43 -39.46 90.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 73.21 111.136 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -101.8 26.9 6.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 71.11 110.867 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.2 t -51.94 104.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 74.21 110.858 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 30.7 mtm180 -96.76 48.79 1.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 73.11 110.873 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.3 p90 -51.18 -31.51 20.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 73.1 110.84 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.5 tp -55.94 -42.47 71.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 75.31 111.102 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -91.02 -57.21 2.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 74.2 110.918 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.71 -55.65 21.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 73.11 110.897 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.98 -5.78 58.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 74.12 110.935 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.0 mmtm 51.22 56.4 8.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.486 . . . . 73.52 110.886 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.45 108.71 1.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 71.33 111.066 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -63.48 176.06 0.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 75.2 110.888 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 91.4 p -80.76 -51.14 8.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 70.14 110.834 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -58.97 -27.35 65.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 74.32 110.923 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -79.88 -46.08 17.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 63.44 110.798 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -57.8 -23.03 50.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 62.13 111.142 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 95.0 t -53.13 -54.09 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 73.12 111.12 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -83.67 -43.62 15.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 74.32 110.919 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 81.9 mt -52.24 -51.28 59.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 74.14 110.923 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 39.4 mtm -72.53 -25.95 61.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 73.32 110.903 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 12.5 tpt -66.64 -35.54 80.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 74.5 110.886 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.55 -21.78 53.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 72.01 111.1 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 41.0 mm -74.6 -23.39 17.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 73.54 111.074 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -83.41 -41.76 17.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 73.11 110.851 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.3 m -76.29 -19.85 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 74.21 111.14 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -85.17 -55.08 4.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 75.55 110.892 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -78.43 -25.32 45.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.464 . . . . 74.31 110.944 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 82.69 20.79 60.96 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.741 . . . . 74.52 112.473 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 18.0 pt -118.53 -176.85 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.798 0.332 . . . . 75.33 111.154 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -120.74 143.03 49.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 75.2 110.853 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 5.3 mp -143.62 95.38 5.86 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.672 0.748 . . . . 73.55 111.11 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 163.62 37.62 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.682 2.255 . . . . 72.21 112.318 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -51.47 -33.93 33.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 74.41 110.86 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -59.94 -36.37 76.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 51.33 110.931 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -105.99 11.87 31.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 75.3 110.896 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.89 -31.39 68.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 63.51 111.072 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.9 p -98.74 17.03 20.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 74.51 111.131 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.67 1.02 20.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 73.14 110.879 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -143.95 14.25 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 72.11 111.137 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.11 -45.67 47.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 75.31 110.855 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.67 160.82 22.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 73.43 111.196 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.0 t -65.77 -30.77 51.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 73.52 111.125 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 t -82.96 -28.04 30.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 74.32 110.907 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -83.23 -37.55 23.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.108 -0.496 . . . . 71.4 110.881 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.2 p -64.91 -38.58 83.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 74.42 111.125 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 41.8 mm -82.76 -24.75 8.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 75.32 111.096 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.65 -35.6 29.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 75.43 110.892 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -82.61 -62.37 1.63 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.234 -0.439 . . . . 72.44 110.902 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 60.4 mt -48.3 -31.85 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 53.5 111.164 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -58.26 -60.01 4.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 75.33 110.886 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -69.74 -24.18 63.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 74.13 110.913 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.18 -32.26 64.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 75.5 110.924 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 55.1 mm-40 -64.36 105.77 0.99 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 72.43 110.962 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 18.9 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 71.24 110.859 -179.802 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.8 ptt? . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.754 0.312 . . . . 73.22 110.847 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -65.08 124.43 22.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.279 -0.418 . . . . 53.13 110.82 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.8 p -117.9 75.59 1.01 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 70.44 111.163 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 98.5 m -60.24 -24.03 64.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 74.22 111.113 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -54.76 -31.75 59.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 72.41 110.834 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.32 -29.92 68.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 74.1 110.896 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 56.4 mt -60.43 -40.11 83.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 62.54 111.118 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -50.85 -41.07 57.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 75.14 110.925 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -90.76 -19.84 23.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 74.42 110.894 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.7 ttpt -74.22 -18.32 60.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 74.51 110.925 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.3 p -51.14 -37.44 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 72.2 111.139 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.1 tt -59.09 -38.03 71.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 71.22 111.133 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -75.65 -22.09 57.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 75.23 110.88 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 7.6 tpt -82.69 -61.7 1.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 63.51 110.906 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 92.4 t -56.07 -24.5 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 74.05 111.133 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.6 -23.53 58.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 74.35 111.085 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -103.98 -22.95 13.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 74.33 110.853 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.69 -54.77 22.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 74.44 110.91 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.03 20.86 14.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 72.45 110.927 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 52.19 50.07 19.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 64.24 110.871 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.74 123.09 39.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 72.34 110.878 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -55.2 147.24 16.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 75.42 110.874 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -59.6 -20.58 56.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 62.45 110.91 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.92 1.57 53.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 73.31 111.103 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 9.7 mt -118.55 -21.15 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 74.31 111.103 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 48.2 mm -49.37 107.04 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 74.12 111.164 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 61.1 p -106.92 178.88 4.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 73.22 111.123 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 72.0 p -89.13 -21.08 23.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 73.02 111.093 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -90.18 -23.38 21.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.277 -0.42 . . . . 74.2 110.87 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 48.31 75.33 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 51.55 110.852 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -103.73 30.85 4.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 74.12 110.854 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 10.7 p90 -51.96 -32.4 33.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 72.14 110.917 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.4 tp -55.92 -42.33 70.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 75.41 111.124 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -90.94 -57.01 2.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 74.13 110.891 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -52.68 -55.65 21.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 73.24 110.867 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.77 -10.64 59.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 64.52 110.948 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.9 tmtt? 57.13 46.17 19.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 65.45 110.936 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.98 147.46 52.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 65.23 111.099 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -93.03 173.92 7.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 70.34 110.863 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 53.0 p -80.5 -40.43 26.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 61.22 110.84 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -73.19 -21.76 60.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 75.01 110.92 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -80.79 -39.84 26.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 71.33 110.867 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -56.55 -23.97 43.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.145 -0.48 . . . . 74.53 111.13 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 83.7 t -53.04 -52.44 29.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 74.32 111.134 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -83.59 -44.17 14.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 72.24 110.898 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 94.1 mt -51.91 -44.45 63.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 74.2 110.901 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 52.7 mtm -78.4 -29.93 47.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 74.02 110.92 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.4 tpt -55.52 -32.08 62.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 73.33 110.861 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.11 -18.71 59.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 75.44 111.122 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 40.2 mm -77.7 -23.65 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 74.05 111.168 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -83.65 -41.11 18.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 71.32 110.883 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.5 m -74.47 -21.83 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 72.21 111.15 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -84.77 -55.26 4.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 75.24 110.839 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -75.19 -25.24 58.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 74.43 110.93 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 74.53 15.71 80.37 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.774 -0.727 . . . . 74.04 112.465 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 45.0 pt -110.78 -175.52 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.825 0.345 . . . . 73.34 111.113 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -119.01 134.81 54.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 65.04 110.886 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.7 mp -137.47 95.75 11.28 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.613 0.72 . . . . 75.3 111.178 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 163.85 36.72 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.651 2.234 . . . . 73.53 112.388 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -50.41 -40.5 50.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.293 -0.412 . . . . 64.53 110.91 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -54.61 -36.66 64.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 75.54 110.865 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -106.15 11.9 30.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 74.35 110.886 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.04 -15.5 62.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 75.04 111.113 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 70.4 p -106.61 17.59 23.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.211 -0.45 . . . . 55.2 111.142 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.5 mmmt -119.52 7.43 11.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 75.01 110.879 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -143.82 14.28 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 73.14 111.074 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.31 -44.86 50.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 72.15 110.907 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.84 160.41 22.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 75.42 111.158 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 98.1 t -65.71 -30.9 51.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 72.12 111.089 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.2 t -83.23 -28.04 29.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 71.53 110.894 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -83.14 -37.2 24.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 74.4 110.85 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.2 p -64.97 -38.27 82.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 62.45 111.089 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 40.3 mm -83.16 -25.12 8.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 74.42 111.154 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.7 -34.94 30.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 74.33 110.895 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -82.86 -62.12 1.69 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 74.21 110.875 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 64.8 mt -48.22 -37.18 6.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 73.53 111.144 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.1 tttp -51.52 -39.52 57.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 73.54 110.916 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.38 -17.69 26.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 74.21 110.879 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.17 -46.68 49.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 75.52 110.861 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -110.69 -179.32 3.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 73.23 110.855 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.9 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 52.15 110.851 -179.794 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.0 ttp . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.768 0.318 . . . . 64.21 110.851 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.4 m -138.68 140.94 38.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 73.43 110.858 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.3 t -90.96 157.26 17.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.12 -0.491 . . . . 74.22 111.135 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.3 m 63.32 44.33 5.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 72.53 111.128 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -103.96 -41.16 5.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 75.42 110.838 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.8 mmtp -67.09 -31.37 71.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 75.33 110.908 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 71.4 mt -56.02 -31.56 31.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 75.53 111.149 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -61.35 -66.88 0.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 74.44 110.859 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -64.43 -19.98 65.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 72.33 110.913 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.6 ttpp -77.55 -4.61 46.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 75.1 110.904 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.8 p -66.78 -28.63 43.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 70.41 111.123 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.1 tt -69.58 -38.35 76.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 71.43 111.099 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -76.84 -20.8 55.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.453 . . . . 74.2 110.875 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 8.0 tpt -78.02 -62.61 1.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 72.41 110.852 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 64.8 t -58.42 -24.4 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 74.43 111.116 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.67 -23.25 60.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 74.33 111.131 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -103.54 -33.36 9.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 71.43 110.902 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.47 -55.28 23.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 73.44 110.931 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.12 20.6 14.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 74.4 110.929 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.2 m120 51.49 42.29 29.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 74.3 110.909 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.2 tptm -86.13 125.16 33.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 73.42 110.938 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -58.57 151.34 20.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 64.0 110.86 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 37.7 mtpt -59.11 -25.19 63.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 73.44 110.865 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.53 -1.13 40.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 74.03 111.125 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 7.6 mt -116.01 -21.92 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 74.14 111.171 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 37.4 mm -50.99 110.56 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 74.13 111.096 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.8 p -142.95 142.4 31.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 74.33 111.153 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.7 t -55.99 -31.86 63.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 72.44 111.115 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -100.71 25.12 8.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.274 -0.421 . . . . 75.12 110.912 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.7 p -59.57 140.96 55.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.472 . . . . 75.03 110.866 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 59.9 mtm180 -130.01 49.22 2.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 75.24 110.861 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -50.53 -32.53 18.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 74.13 110.905 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.3 tp -55.65 -43.93 74.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 71.33 111.107 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -91.11 -57.23 2.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 71.25 110.843 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -52.67 -55.58 21.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 72.21 110.85 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.2 tp -81.75 -6.22 58.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 75.22 110.92 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? 51.5 55.72 8.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 75.25 110.911 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.96 112.12 3.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 75.13 111.106 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -56.53 175.56 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 72.32 110.866 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.2 t -77.07 -54.94 5.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 54.23 110.89 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -61.36 -24.39 66.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 74.4 110.928 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -81.21 -49.13 11.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 70.45 110.865 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.1 p -52.63 -52.24 56.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 75.02 111.121 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.8 m -50.74 -32.68 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 73.23 111.089 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -83.97 -37.13 22.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 72.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.4 mt -66.9 -56.33 10.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 64.31 110.932 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 32.8 mtm -61.07 -31.48 71.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 71.41 110.897 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 11.3 tpt -52.41 -40.5 62.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 74.22 110.885 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.72 -29.6 59.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 73.34 111.093 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 46.0 mm -64.83 -23.14 32.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 74.12 111.143 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -82.71 -46.37 13.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 72.02 110.902 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.0 m -76.18 -16.45 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 74.11 111.08 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -81.85 -55.06 4.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 71.32 110.897 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -82.16 -25.03 34.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 75.33 110.932 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 87.73 30.5 18.04 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.721 -0.752 . . . . 74.42 112.469 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 17.6 pt -125.2 -178.37 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.795 0.331 . . . . 75.21 111.157 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -121.6 136.57 54.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 64.22 110.831 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.4 mp -140.11 95.44 8.45 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.675 0.75 . . . . 74.43 111.161 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 163.67 37.42 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.664 2.243 . . . . 71.05 112.297 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -51.39 -36.09 41.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 74.43 110.891 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -58.66 -35.99 73.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 75.21 110.843 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -105.93 11.76 31.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 75.43 110.879 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.7 -14.27 62.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 53.24 111.092 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 23.4 p -107.01 17.06 23.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 75.44 111.178 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.0 mmtm -119.11 8.45 11.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 65.04 110.881 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -144.56 14.15 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 71.41 111.148 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.4 tttt -73.45 -55.15 6.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 74.24 110.881 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.63 146.49 42.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 72.53 111.154 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 57.9 t -53.03 -31.47 17.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 64.31 111.143 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.4 t -77.05 -33.04 57.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 75.24 110.885 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -83.19 -22.73 33.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 75.11 110.863 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 77.3 t -60.44 -66.35 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 74.01 111.154 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 29.6 mm -66.06 -39.2 83.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 75.32 111.151 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.63 -53.77 50.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 75.23 110.913 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -73.49 -55.76 5.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.216 -0.447 . . . . 73.15 110.949 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 86.5 mt -49.78 -28.32 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 74.53 111.141 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 18.4 ttmm -59.71 -66.5 0.5 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 75.11 110.896 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -61.9 -26.48 68.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 71.42 110.842 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.47 -31.3 63.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 74.44 110.869 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -62.62 131.05 47.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 72.21 110.947 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 32.2 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 73.23 110.88 -179.812 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.787 0.327 . . . . 64.1 110.862 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.2 p -126.1 156.43 40.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 71.1 110.876 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.5 t -90.9 168.11 11.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 74.03 111.171 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.9 m 59.12 58.49 3.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 75.35 111.151 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -110.73 -48.81 3.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 75.22 110.861 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.83 -35.47 63.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 74.32 110.9 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 63.0 mt -53.89 -33.25 23.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 74.34 111.164 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -54.06 -66.54 0.38 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 74.44 110.904 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -68.85 -23.8 64.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 72.13 110.882 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.9 tmmm? -68.67 -12.94 62.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 65.34 110.902 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.6 p -57.11 -29.67 32.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 75.32 111.111 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.1 tt -64.96 -38.23 82.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 74.53 111.099 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -76.22 -20.78 57.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 72.23 110.908 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 6.8 tpt -82.21 -61.9 1.77 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 72.52 110.885 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 94.2 t -52.91 -39.66 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 71.41 111.108 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.68 -23.8 53.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 72.33 111.093 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -105.49 -20.42 13.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 71.04 110.898 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.1 ttmt -65.24 -56.64 11.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 74.32 110.907 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.83 18.18 15.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 71.21 110.905 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 33.5 t30 56.01 55.7 6.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 75.43 110.899 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.45 121.0 41.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 63.34 110.886 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -50.94 145.73 6.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 71.53 110.838 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.6 ptpt -58.82 -24.39 61.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 65.3 110.879 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.74 1.58 38.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 61.34 111.109 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 9.4 mt -118.87 -22.49 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 75.24 111.144 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.4 mm -50.05 117.92 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 74.3 111.136 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 12.0 p -137.55 149.51 46.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.182 -0.463 . . . . 73.43 111.129 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 79.9 p -52.2 -39.82 60.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 44.23 111.149 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -100.98 29.38 4.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 73.52 110.854 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.1 t -49.66 118.39 2.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 73.25 110.865 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 67.8 mtm180 -109.38 50.11 0.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 64.32 110.896 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -48.67 -33.41 9.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 73.03 110.885 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.4 tp -56.0 -43.58 75.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 75.01 111.125 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -91.04 -56.84 3.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 72.0 110.859 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -53.64 -55.71 23.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 54.23 110.914 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.4 tp -82.47 -3.58 56.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 75.14 110.97 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.8 tptm 51.14 52.35 15.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 74.43 110.939 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.18 114.54 3.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 64.42 111.105 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -54.95 176.04 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 75.1 110.837 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.9 m -85.95 -40.32 15.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 64.31 110.859 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -74.8 -27.05 60.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 64.15 110.911 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -82.19 -40.07 22.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 74.31 110.914 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -51.37 -54.4 26.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 72.54 111.165 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 10.2 p -50.32 -30.57 7.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 62.22 111.167 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -84.15 -40.05 18.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 73.32 110.898 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.9 mt -66.09 -56.4 11.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 74.4 110.922 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 33.8 mtm -59.77 -32.92 71.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 75.24 110.913 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 10.2 tpt -52.81 -35.64 57.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 74.25 110.897 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.75 -33.45 66.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 71.23 111.135 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 38.8 mm -60.91 -23.96 31.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 72.35 111.15 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -81.66 -50.36 9.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 62.23 110.902 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.6 m -71.94 -16.17 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 72.31 111.102 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -85.43 -55.04 4.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 73.02 110.942 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -76.78 -25.27 53.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 74.4 110.879 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.77 18.67 59.46 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.738 . . . . 71.54 112.519 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 15.8 pt -113.04 -178.29 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.853 0.359 . . . . 64.3 111.127 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -118.34 144.71 45.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 74.35 110.867 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 5.3 mp -144.6 95.49 5.36 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.625 0.726 . . . . 73.33 111.108 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 163.68 37.4 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.665 2.243 . . . . 64.54 112.358 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -51.43 -36.21 42.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.205 -0.452 . . . . 72.34 110.872 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -58.49 -35.54 72.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 74.34 110.83 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -106.02 11.9 31.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 74.25 110.858 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.99 -27.53 68.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 71.01 111.117 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.4 p -101.18 17.43 22.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 73.12 111.11 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.12 3.42 20.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 64.11 110.885 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -144.0 14.2 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 73.43 111.123 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.05 -52.48 16.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 74.22 110.929 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -79.93 146.47 32.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 73.32 111.163 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.2 t -53.66 -28.44 16.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 73.32 111.154 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.5 p -78.95 -33.51 45.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 73.33 110.831 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -82.85 -22.78 33.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 74.4 110.822 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 95.5 t -61.28 -66.31 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 70.21 111.089 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 32.7 mm -67.08 -23.9 31.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 75.5 111.143 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.88 -54.33 16.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 74.34 110.929 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -75.54 -54.25 7.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 74.45 110.945 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 70.3 mt -48.89 -28.76 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 72.34 111.166 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 51.9 tttt -61.71 -66.33 0.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 75.1 110.889 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -60.58 -26.87 67.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 71.01 110.873 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.22 -34.62 66.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 74.52 110.853 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 41.3 mm-40 -65.31 145.13 56.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 71.13 110.882 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 64.42 110.866 -179.829 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.1 mtt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.767 0.318 . . . . 64.32 110.875 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -124.35 86.2 2.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 75.03 110.836 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 m -106.42 -43.71 4.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.103 -0.499 . . . . 54.4 111.156 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 28.6 m -110.46 -23.22 11.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 63.11 111.157 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -51.62 -41.34 61.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 74.41 110.871 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.76 -39.91 74.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 73.54 110.923 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 70.2 mt -54.02 -35.54 28.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 75.43 111.127 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -52.67 -53.01 53.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 54.23 110.895 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.16 -20.06 38.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 75.33 110.947 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -78.84 -4.72 50.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 75.12 110.864 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.3 p -66.58 -29.66 47.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 73.12 111.115 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.1 tt -71.8 -37.25 61.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 62.23 111.179 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -74.04 -22.94 59.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 74.11 110.917 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 7.8 tpt -74.71 -62.62 1.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 72.4 110.869 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.5 t -53.58 -39.52 37.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 73.52 111.172 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.22 -23.32 62.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 71.12 111.134 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -103.44 -23.17 13.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 73.35 110.852 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.4 tmtm? -61.73 -57.31 12.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 74.44 110.879 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.8 20.82 14.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 75.55 110.885 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 54.6 62.8 2.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 72.21 110.887 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.7 126.22 54.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 73.13 110.946 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -58.81 151.8 20.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.437 . . . . 64.53 110.896 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.9 -19.3 50.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 74.22 110.86 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.66 1.58 54.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.416 . . . . 73.21 111.098 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 9.3 mt -117.94 -21.36 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 70.11 111.108 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.1 mm -50.69 111.43 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 74.5 111.117 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 12.9 p -115.63 162.02 17.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 74.43 111.159 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 72.4 p -69.98 -28.41 65.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 72.42 111.127 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -79.84 -22.6 42.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 70.21 110.866 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.2 m 52.28 69.21 0.7 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 65.35 110.826 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 50.0 mtp180 -99.46 33.24 2.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.053 -0.521 . . . . 74.22 110.897 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -51.35 -32.55 26.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 72.04 110.858 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.4 tp -55.84 -42.87 72.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 74.15 111.091 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 57.6 tt0 -91.06 -57.15 2.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 72.23 110.905 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -52.91 -55.63 21.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 64.34 110.885 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.12 -5.24 58.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 72.35 110.893 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp 51.14 56.71 7.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 74.12 110.898 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.92 156.17 25.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 71.03 111.118 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -100.87 175.81 5.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 73.34 110.837 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.1 t -79.89 -54.63 5.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 73.33 110.888 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -68.36 -22.12 64.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 71.32 110.921 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -76.69 -47.28 22.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 72.13 110.845 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -54.52 -26.16 30.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 74.54 111.1 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 46.8 t -59.5 -48.78 86.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 62.15 111.121 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -83.55 -34.81 25.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 71.52 110.916 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 89.9 mt -64.0 -57.92 8.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 71.01 110.922 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 37.8 mtm -58.44 -24.03 59.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 71.33 110.868 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 9.6 tpt -71.5 -35.8 70.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.424 . . . . 74.33 110.874 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.26 -33.75 63.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 74.13 111.1 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 38.0 mm -61.84 -23.44 31.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 74.42 111.097 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -81.89 -48.02 12.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 62.32 110.856 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.0 m -74.43 -16.98 16.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 74.12 111.126 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -82.2 -55.14 4.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 73.4 110.879 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -80.08 -25.13 40.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 73.34 110.929 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 89.4 29.87 15.53 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.71 -0.757 . . . . 65.42 112.482 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 16.7 pt -132.05 -177.75 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.817 0.341 . . . . 70.41 111.098 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -122.61 139.39 53.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 63.42 110.84 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.404 ' HA ' ' HD2' ' A' ' 59' ' ' PRO . 4.7 mp -141.14 95.43 7.48 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.654 0.74 . . . . 74.41 111.162 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 58' ' ' ILE . 53.9 Cg_endo -69.7 163.7 37.23 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.7 2.267 . . . . 72.43 112.347 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -51.59 -30.79 22.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 65.52 110.825 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -63.54 -37.12 86.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.472 . . . . 74.13 110.897 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -105.15 11.9 32.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 75.05 110.884 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.81 -22.71 48.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 72.12 111.147 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 16.9 p -96.15 -8.28 33.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 62.41 111.138 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.82 -7.55 59.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 64.14 110.87 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -144.04 15.44 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 74.23 111.159 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.1 tttm -70.32 -45.91 65.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 73.43 110.909 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -89.57 146.41 24.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 73.55 111.149 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 93.4 t -54.31 -26.18 15.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 62.32 111.129 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.8 t -79.96 -34.7 38.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 64.54 110.875 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -83.07 -22.48 33.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 74.25 110.867 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 80.6 t -60.24 -65.97 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 73.03 111.123 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 25.2 mm -68.28 -24.78 30.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.464 . . . . 71.02 111.114 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? -70.43 -46.56 63.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 74.41 110.88 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -82.48 -56.28 3.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 71.24 110.911 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 64.7 mt -48.07 -31.39 2.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 75.23 111.129 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.2 tttt -51.91 -66.91 0.3 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 75.54 110.922 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -67.67 -20.4 65.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.439 . . . . 73.54 110.884 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.14 -28.39 62.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 72.4 110.859 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -62.81 124.07 20.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 72.45 110.906 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 43.2 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 74.31 110.839 -179.823 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.755 0.312 . . . . 73.31 110.893 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.4 t -101.91 -51.69 3.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 71.14 110.848 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.5 p -71.79 145.8 48.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.486 . . . . 74.11 111.176 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 40.0 m -77.02 90.13 3.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 75.04 111.109 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -136.03 -54.0 0.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 73.54 110.861 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -56.46 -25.57 51.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 74.11 110.903 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.2 mt -60.87 -31.84 50.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 74.52 111.125 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -58.01 -38.75 76.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 74.13 110.894 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -91.97 -28.56 17.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 73.04 110.875 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.1 ttmt -65.11 -17.55 64.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 71.31 110.897 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.8 p -51.41 -30.22 10.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 75.2 111.116 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.5 tt -64.93 -38.69 83.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 74.43 111.095 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -74.3 -22.77 59.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 73.13 110.893 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 8.2 tpt -81.08 -62.12 1.76 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 74.31 110.859 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 57.8 t -56.42 -24.51 18.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 75.32 111.136 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.81 -23.28 55.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 74.33 111.098 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -104.25 -17.25 14.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 72.45 110.875 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.76 -57.84 5.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 73.25 110.925 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.96 20.73 14.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.283 -0.417 . . . . 65.32 110.925 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 54.9 52.83 11.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 70.43 110.894 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.39 120.96 39.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 74.24 110.904 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.81 154.42 29.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 70.13 110.899 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.4 ptmm? -57.72 -22.94 49.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 74.21 110.934 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.88 -6.34 52.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 64.31 111.098 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 4.5 mp -117.13 -23.19 4.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 70.35 111.152 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 43.9 mm -49.88 104.33 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.476 . . . . 74.11 111.076 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 37.2 p -129.44 148.49 51.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 73.33 111.192 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 48.5 p -55.17 -25.96 35.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.432 . . . . 63.54 111.144 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -118.47 28.9 8.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 73.11 110.898 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.76 108.44 0.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 74.24 110.849 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 -102.21 49.23 0.86 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 74.41 110.864 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -50.83 -31.88 18.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 73.34 110.889 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.5 tp -55.87 -42.23 69.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 72.24 111.104 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -90.82 -57.19 2.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 73.11 110.886 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -52.45 -55.56 21.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 74.52 110.907 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.3 tt -81.79 -6.55 59.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 74.21 110.898 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp 50.93 54.5 11.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 75.04 110.881 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.03 126.88 28.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 62.23 111.127 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -55.51 176.07 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 54.13 110.895 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.8 t -98.28 -26.63 14.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 71.14 110.889 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -80.89 -30.15 35.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 75.14 110.949 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -81.86 -34.53 30.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.483 . . . . 73.42 110.883 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -50.87 -48.98 60.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 73.44 111.161 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 17.7 m -50.02 -31.71 7.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 75.54 111.133 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -84.61 -41.44 16.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.136 -0.484 . . . . 73.51 110.87 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.5 mt -62.91 -53.64 51.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.466 . . . . 75.33 110.939 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 29.4 mtm -62.05 -35.3 78.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 75.51 110.868 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 9.8 tpt -52.1 -41.57 62.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 75.1 110.884 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.17 -34.26 60.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 73.32 111.139 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 42.1 mm -62.73 -23.26 32.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 74.43 111.088 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -81.65 -45.21 16.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 72.14 110.919 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.4 m -77.6 -16.07 14.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 72.21 111.136 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -84.48 -55.08 4.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 65.1 110.9 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -82.8 -25.13 33.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 75.33 110.896 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 73.69 38.04 51.11 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.773 -0.727 . . . . 71.12 112.493 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 11.2 pt -120.33 179.68 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.878 0.37 . . . . 75.13 111.082 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -115.33 135.03 54.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 73.24 110.853 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 5.3 mp -144.88 95.52 5.22 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.631 0.729 . . . . 74.33 111.118 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 163.71 37.28 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.677 2.252 . . . . 73.2 112.357 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -51.4 -33.93 32.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 64.24 110.901 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -60.53 -36.37 78.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 73.35 110.846 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -106.07 11.85 31.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 75.13 110.898 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.39 -22.14 60.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 75.11 111.079 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 10.2 t -106.82 13.12 28.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 73.32 111.14 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -103.42 2.93 34.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 75.33 110.891 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -143.7 13.27 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 74.23 111.173 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.1 ttpt -72.32 -53.37 12.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 74.23 110.896 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -78.77 146.89 33.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 74.44 111.153 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 27.7 t -55.1 -27.01 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 74.11 111.142 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 27.2 t -77.48 -36.23 52.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 74.22 110.857 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.86 -21.73 34.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 71.25 110.869 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 75.5 t -60.61 -66.13 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 71.23 111.138 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 46.9 mm -68.58 -24.52 29.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 74.31 111.126 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.95 -46.74 61.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 73.11 110.932 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -80.26 -57.47 3.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 75.42 110.897 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 53.3 mt -50.44 -25.96 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 74.12 111.17 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.3 ttpt -50.07 -61.64 2.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 73.45 110.874 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -76.38 -16.24 59.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 60.34 110.9 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.14 -36.57 66.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 65.33 110.862 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -62.37 135.26 57.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 73.13 110.919 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.6 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 73.44 110.873 -179.847 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.3 ptm . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.825 0.345 . . . . 72.25 110.862 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.3 p -107.83 79.46 1.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 65.01 110.861 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.5 p -115.98 136.02 53.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 53.21 111.154 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.8 m 57.28 49.11 13.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 75.5 111.112 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -117.91 -34.89 4.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.44 . . . . 72.44 110.836 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -80.37 -14.63 58.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 73.25 110.935 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 17.8 mt -72.0 -29.98 35.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 73.44 111.147 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -66.35 -39.41 89.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 74.11 110.875 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -88.87 -19.91 25.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 73.24 110.926 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -87.18 -22.1 25.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 75.44 110.924 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.8 p -54.03 -29.95 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 74.41 111.173 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.6 tt -56.09 -40.38 63.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.486 . . . . 74.43 111.162 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -77.88 -24.36 48.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.149 -0.478 . . . . 73.11 110.898 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 8.0 tpt -71.63 -62.39 1.43 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 74.23 110.928 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 97.6 t -56.72 -24.17 18.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.461 . . . . 73.44 111.137 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.03 -23.56 55.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 73.43 111.083 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -104.1 -17.39 14.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 53.31 110.879 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.18 -57.46 5.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 74.34 110.895 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.84 20.66 14.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 74.24 110.908 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 55.4 62.94 2.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 74.42 110.907 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.36 120.81 43.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 73.53 110.88 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -56.8 155.39 7.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 73.34 110.83 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -55.75 -33.56 64.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 74.42 110.923 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.89 -19.27 61.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 73.21 111.079 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 13.2 mm -92.43 -26.87 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 53.23 111.124 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.8 mm -51.0 116.45 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 75.25 111.152 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.7 t -153.17 158.44 41.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 74.31 111.173 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.0 t -71.27 -11.26 60.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 74.21 111.134 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -117.03 22.72 12.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 61.11 110.845 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.2 p -56.92 129.46 41.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 70.51 110.844 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -120.74 47.41 1.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.495 . . . . 74.25 110.885 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -49.94 -32.97 16.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 74.55 110.903 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.4 tp -56.01 -43.95 76.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 72.01 111.116 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -91.25 -57.2 2.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 75.14 110.92 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -53.35 -55.6 23.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.141 -0.481 . . . . 74.2 110.873 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -83.3 -2.31 55.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 75.3 110.891 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 51.03 51.06 17.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 74.43 110.883 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.23 109.46 1.33 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 71.1 111.09 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -65.86 160.14 23.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 65.32 110.868 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 40.2 t -65.73 -56.14 13.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 73.22 110.852 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -57.65 -27.41 62.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 74.12 110.913 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -80.22 -48.48 13.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 72.04 110.856 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 p -56.54 -25.54 52.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.462 . . . . 74.22 111.139 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 63.1 t -60.08 -48.59 87.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 74.22 111.071 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -83.12 -34.44 26.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 73.54 110.86 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 89.6 mt -64.28 -56.84 11.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 74.12 110.944 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 63.6 mtm -63.59 -31.23 72.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 74.02 110.907 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 9.0 tpt -52.02 -36.59 50.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 73.52 110.85 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.78 -30.05 55.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 72.11 111.086 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 43.2 mm -64.55 -23.18 32.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 73.31 111.145 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -82.46 -46.16 13.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 55.43 110.852 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.5 m -76.2 -18.51 15.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.476 . . . . 75.2 111.146 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -81.29 -54.91 5.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 74.51 110.899 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -80.92 -25.23 37.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 75.13 110.953 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 88.65 27.4 24.62 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 74.41 112.507 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 19.8 pt -125.48 -178.35 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.803 0.335 . . . . 72.11 111.151 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -119.33 137.0 54.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.461 . . . . 72.03 110.878 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.413 ' HA ' ' HD2' ' A' ' 59' ' ' PRO . 5.0 mp -142.79 95.98 6.19 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.62 0.724 . . . . 74.52 111.141 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 58' ' ' ILE . 54.1 Cg_endo -69.74 163.91 36.5 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.673 2.249 . . . . 73.32 112.375 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -50.28 -38.31 40.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.284 -0.417 . . . . 72.42 110.898 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -56.34 -37.89 70.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 73.15 110.867 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -106.04 12.23 30.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 75.4 110.941 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.07 -11.96 59.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 74.03 111.143 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 38.3 p -106.39 -7.69 17.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.199 -0.455 . . . . 74.51 111.148 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 50.8 mmtt -88.1 6.4 36.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 73.14 110.9 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -144.39 14.3 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 73.05 111.146 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.15 -50.51 32.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 73.14 110.894 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.55 146.68 28.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 75.35 111.171 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.5 t -53.58 -30.06 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 70.22 111.126 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.0 t -77.95 -32.22 51.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 64.44 110.843 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.15 -23.97 32.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.144 -0.48 . . . . 74.12 110.855 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 86.7 t -61.11 -65.93 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 73.23 111.078 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 27.0 mm -66.62 -24.13 32.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 73.32 111.15 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.08 -50.78 37.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 75.44 110.866 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -78.87 -55.14 5.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 73.12 110.897 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 60.6 mt -49.79 -28.12 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.48 . . . . 75.32 111.129 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.8 ttpt -53.06 -66.54 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 74.15 110.914 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -68.28 -19.82 64.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 74.4 110.873 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.02 -33.33 65.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 74.32 110.897 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 38.3 mm-40 -62.56 129.03 38.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 72.54 110.93 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.4 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 64.11 110.841 -179.797 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.82 0.343 . . . . 75.54 110.837 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 p -122.03 148.62 44.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 64.24 110.906 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.8 t -124.1 31.33 5.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 73.02 111.159 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.6 m 59.15 40.5 21.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 74.4 111.141 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -100.29 -41.15 7.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 75.41 110.861 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.65 -32.84 73.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 70.03 110.934 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 67.7 mt -57.99 -32.93 44.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 71.23 111.136 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -54.52 -49.76 69.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 63.25 110.866 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -86.5 -20.08 28.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 70.54 110.933 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.4 ttmm -77.02 -4.94 46.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 72.42 110.917 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.2 p -66.18 -32.09 56.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 74.12 111.159 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.2 tt -67.88 -37.54 78.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 73.35 111.131 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -73.88 -22.13 59.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 63.41 110.897 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 7.2 tpt -80.77 -62.58 1.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 75.35 110.839 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 57.7 t -56.08 -24.7 18.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.27 -0.423 . . . . 73.2 111.164 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.85 -23.41 61.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 74.45 111.098 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -105.24 -28.91 10.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 74.53 110.926 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.56 -57.27 12.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.457 . . . . 75.31 110.913 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.61 20.57 14.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 75.44 110.885 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 52.63 64.57 1.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 74.23 110.898 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -112.01 125.25 53.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 75.54 110.896 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -56.04 147.8 19.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.433 . . . . 73.3 110.885 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.16 -24.3 62.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 65.13 110.88 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.94 0.1 46.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.421 . . . . 73.54 111.08 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 8.6 mt -117.17 -21.96 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 75.5 111.123 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.1 mm -50.46 121.74 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 75.34 111.116 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -148.96 145.62 27.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 71.21 111.098 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.5 t -53.58 -35.91 61.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 74.1 111.163 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -99.77 25.58 7.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 75.31 110.859 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 m -55.56 124.92 18.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 72.51 110.874 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.21 48.73 0.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 75.24 110.897 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -50.14 -33.23 18.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 75.03 110.828 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.4 tp -55.47 -43.9 73.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 65.05 111.098 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -91.45 -57.25 2.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 54.42 110.883 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -52.96 -55.78 20.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 74.25 110.882 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.4 tp -82.04 -5.23 58.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 74.14 110.89 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.8 mmtm 51.03 62.51 2.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 72.23 110.87 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.96 110.01 4.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 74.42 111.117 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -51.97 169.45 0.07 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 64.3 110.863 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 50.8 m -76.43 -38.33 55.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 75.25 110.826 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.5 -10.51 59.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 73.33 110.929 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -80.74 -46.52 15.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 74.0 110.902 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -53.94 -27.63 32.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 73.01 111.096 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 48.2 t -52.72 -58.39 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.42 . . . . 71.42 111.158 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -81.94 -41.84 20.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 75.11 110.87 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 68.7 mt -52.08 -57.73 8.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 64.52 110.862 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 35.0 mtm -65.72 -34.73 78.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 74.4 110.832 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 10.9 tpt -55.7 -31.88 62.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 72.02 110.859 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.16 -18.9 51.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 65.24 111.147 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 41.5 mm -78.53 -23.82 13.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 75.31 111.125 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -83.69 -39.92 19.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 75.53 110.905 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.4 m -75.08 -21.58 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 74.41 111.179 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -84.93 -55.08 4.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 72.21 110.894 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -76.49 -24.52 53.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 74.42 110.959 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 70.87 38.25 65.39 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.733 -0.746 . . . . 75.12 112.532 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 14.7 pt -127.8 156.02 39.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.837 0.351 . . . . 74.14 111.151 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -85.07 117.96 24.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 73.11 110.894 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 72.7 mt -138.2 95.42 10.53 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.661 0.743 . . . . 73.02 111.127 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 164.11 35.79 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.655 2.237 . . . . 75.3 112.361 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -50.47 -38.69 45.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 74.22 110.826 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -55.48 -36.33 66.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 74.01 110.838 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -106.01 12.11 30.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 64.34 110.873 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.15 -11.06 60.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 74.41 111.112 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 65.3 p -105.15 -9.78 17.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 74.45 111.124 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 26.1 mttt -85.57 4.43 36.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 75.2 110.942 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -143.55 14.27 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 73.43 111.103 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 34.6 tttt -72.16 -45.65 59.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 72.02 110.844 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.68 162.86 19.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 72.43 111.135 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.1 t -66.93 -30.74 50.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 74.14 111.134 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.0 p -82.67 -27.92 30.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 74.22 110.899 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -83.61 -36.68 23.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 73.52 110.89 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.3 p -66.37 -37.93 80.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 74.11 111.146 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 41.8 mm -82.87 -25.85 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 74.15 111.116 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -81.98 -34.58 29.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 75.41 110.902 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -82.62 -62.75 1.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 75.34 110.934 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 60.3 mt -48.2 -32.71 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 72.32 111.112 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt -59.54 -47.99 83.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 75.11 110.931 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -80.1 -22.84 41.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 73.22 110.929 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.14 -46.42 51.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 75.52 110.902 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 44.6 mm-40 -53.13 160.32 1.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 74.43 110.914 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.6 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 75.42 110.888 -179.821 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 mmt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.792 0.329 . . . . 72.3 110.866 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t 60.36 30.97 20.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 74.42 110.835 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.2 t -123.12 167.45 13.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 64.31 111.117 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 96.1 m -113.37 -25.84 8.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 75.14 111.113 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -53.71 -42.67 68.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 75.04 110.869 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.68 -32.08 65.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 74.55 110.844 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 55.2 mt -60.42 -32.63 51.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 74.44 111.126 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -56.31 -52.8 63.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 74.01 110.86 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -80.43 -22.05 41.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 53.42 110.881 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -75.95 -5.79 47.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 74.2 110.905 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.2 p -64.35 -29.58 47.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 75.14 111.139 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.2 tt -64.67 -39.18 84.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 65.43 111.126 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -78.1 -24.89 47.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 73.52 110.85 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 9.1 tpt -72.56 -62.11 1.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 64.32 110.879 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 94.5 t -56.24 -24.46 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 74.1 111.136 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.02 -23.57 60.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 70.21 111.102 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -102.84 -32.66 9.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 73.0 110.903 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.73 -54.06 43.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 74.25 110.922 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.76 20.68 14.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 75.24 110.882 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 43.0 t30 52.23 41.74 30.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 61.12 110.879 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -85.23 126.1 33.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 75.05 110.939 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -58.35 150.11 22.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.42 . . . . 62.34 110.899 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.7 ptmm? -58.89 -25.5 63.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 74.11 110.886 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.01 0.69 39.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 63.24 111.101 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 8.5 mt -117.24 -21.68 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 73.33 111.157 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 34.2 mm -50.44 116.33 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 65.03 111.114 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.7 p -141.77 159.55 41.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 73.54 111.132 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.3 p -64.65 -37.98 89.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.218 -0.446 . . . . 64.25 111.16 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -101.67 29.02 5.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 73.31 110.865 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 90.1 p -51.46 112.0 0.67 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 70.22 110.86 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 30.8 mtt85 -105.67 49.4 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 75.24 110.853 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -49.78 -33.52 16.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 70.2 110.872 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.3 tp -55.04 -43.9 71.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 73.34 111.132 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -91.27 -57.23 2.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 75.33 110.892 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -52.54 -55.72 20.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 74.44 110.827 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.3 tp -81.13 -7.56 59.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 62.24 110.899 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? 51.16 53.86 12.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 75.01 110.909 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.7 131.9 48.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 60.52 111.11 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -55.88 176.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 65.3 110.9 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 36.9 t -87.37 -40.77 14.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 72.53 110.85 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.59 -11.94 58.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 72.11 110.947 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -82.79 -41.7 18.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 74.11 110.901 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.9 p -49.83 -53.76 23.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 72.14 111.109 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.4 m -50.2 -31.44 7.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 73.12 111.147 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -84.49 -38.74 19.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 74.03 110.896 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.2 mt -66.81 -57.45 7.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 72.23 110.932 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 34.9 mtm -59.16 -31.68 69.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 75.25 110.892 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 10.9 tpt -53.71 -37.03 62.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 74.04 110.868 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.62 -22.97 48.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 74.02 111.123 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 44.8 mm -71.58 -23.24 22.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 74.02 111.135 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -83.13 -45.56 13.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 74.24 110.872 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.8 m -73.64 -17.74 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 74.43 111.149 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -84.65 -55.03 4.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 73.13 110.856 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -77.31 -24.89 50.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 74.43 110.944 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 87.63 24.73 34.95 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.743 -0.741 . . . . 75.04 112.531 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 29.1 pt -120.9 -177.9 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.816 0.341 . . . . 74.43 111.134 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -118.18 140.55 49.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 74.42 110.88 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 60.4 mt -145.51 95.42 4.99 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.627 0.727 . . . . 73.11 111.098 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.86 163.65 37.55 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.671 2.248 . . . . 74.14 112.365 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -51.94 -35.34 45.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 62.11 110.828 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -58.84 -33.1 70.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 74.12 110.905 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -105.54 11.74 32.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 71.14 110.92 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.88 -11.02 60.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 71.32 111.075 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 68.9 p -106.89 15.64 25.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 74.14 111.164 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -119.83 8.58 11.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 73.45 110.928 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -143.45 13.95 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 73.51 111.111 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -71.68 -50.6 28.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 72.24 110.849 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.11 146.37 29.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 71.33 111.155 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 31.2 t -54.32 -27.15 16.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 71.32 111.12 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.5 p -79.82 -33.22 40.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 73.23 110.862 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.17 -22.73 33.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.478 . . . . 72.35 110.867 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 98.2 t -61.34 -66.44 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 74.24 111.106 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 35.2 mm -66.83 -24.06 32.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 75.43 111.168 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.7 tmtt? -70.88 -52.92 17.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 75.32 110.857 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -75.66 -55.36 5.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.283 -0.417 . . . . 63.53 110.911 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 68.4 mt -48.77 -29.81 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 75.2 111.131 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 36.0 tttt -58.43 -64.99 0.73 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 73.21 110.922 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -61.89 -23.83 66.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 73.41 110.861 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.11 -43.52 61.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 75.44 110.881 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -57.57 134.61 56.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 74.2 110.899 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.3 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 73.3 110.872 -179.817 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.2 ptt? . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.726 0.298 . . . . 71.34 110.815 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.1 m -90.38 126.2 35.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 71.43 110.861 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 16.4 p -149.26 114.23 5.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 65.05 111.15 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.0 m 57.39 43.58 23.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 74.12 111.143 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -107.6 -33.47 7.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.445 . . . . 74.35 110.909 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.17 -22.52 60.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 73.3 110.901 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.3 mt -66.95 -40.09 84.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 74.43 111.125 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -58.2 -37.72 75.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 64.32 110.9 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -88.93 -21.05 23.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 73.51 110.912 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -82.82 -19.67 37.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 73.53 110.897 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.4 p -51.21 -30.49 10.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 70.45 111.108 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.4 tt -70.56 -37.98 71.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 75.42 111.168 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -73.87 -25.29 59.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 75.12 110.904 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.4 tpt -71.64 -62.45 1.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 75.03 110.836 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.2 t -55.61 -24.53 16.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 73.14 111.147 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.15 -25.15 62.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 74.41 111.122 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -105.46 -24.1 12.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 70.34 110.899 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.2 tttm -60.23 -57.94 10.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 71.02 110.907 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -116.08 20.7 14.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 72.13 110.906 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 53.52 58.57 5.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 72.25 110.902 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.5 121.01 42.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 75.24 110.947 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -55.92 154.99 6.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 75.24 110.879 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.2 ptpp? -58.62 -29.25 66.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 75.31 110.891 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.8 -3.77 52.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 75.21 111.129 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.9 mm -106.11 -26.95 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 72.33 111.147 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 43.3 mm -49.53 115.52 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 72.12 111.097 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -136.49 148.27 47.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 70.02 111.139 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 72.7 p -56.97 -44.33 82.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 74.21 111.176 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -103.17 28.82 5.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 73.21 110.887 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.7 t -51.88 134.5 31.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 73.54 110.884 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -122.96 49.46 1.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 73.3 110.866 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -49.73 -33.27 15.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 75.35 110.881 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.5 tp -56.52 -42.95 76.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 71.51 111.131 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -91.35 -57.28 2.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 73.11 110.856 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -53.9 -55.85 23.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 73.23 110.863 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.6 tp -81.72 -4.56 56.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 72.45 110.903 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.1 mmtt 50.93 58.35 5.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 74.42 110.852 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.07 120.6 11.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 75.21 111.121 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.95 157.67 1.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 51.42 110.893 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.0 t -79.72 -36.8 36.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 74.34 110.88 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -81.34 -26.21 35.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 74.21 110.882 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -82.2 -36.6 27.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 63.55 110.843 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -50.92 -51.03 56.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 75.35 111.163 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 10.9 p -50.1 -31.18 7.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 72.33 111.197 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -84.51 -37.98 20.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.104 -0.498 . . . . 74.51 110.881 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.9 mt -66.93 -53.76 28.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 73.51 110.907 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 28.8 mtm -63.59 -31.06 72.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 74.15 110.894 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 10.4 tpt -51.68 -37.74 51.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 74.01 110.891 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.75 -31.5 58.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 73.13 111.109 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 39.6 mm -64.66 -23.31 33.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 74.35 111.112 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -81.87 -44.41 16.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 74.02 110.902 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.8 m -78.39 -17.61 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 72.02 111.083 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -85.66 -55.15 4.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 74.41 110.848 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -82.55 -25.32 33.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.198 -0.456 . . . . 74.11 110.899 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 72.1 51.52 13.87 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.706 -0.759 . . . . 64.15 112.523 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 12.8 pt -138.89 -178.31 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.837 0.351 . . . . 73.15 111.125 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -120.3 138.7 53.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 75.05 110.883 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.8 mp -142.05 95.56 6.81 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.636 0.731 . . . . 73.53 111.17 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 163.94 36.46 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.658 2.239 . . . . 74.23 112.349 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.68 -36.52 36.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 62.11 110.85 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -58.51 -36.93 74.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 73.2 110.855 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -105.89 11.85 31.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 73.3 110.908 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.46 -36.38 64.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 74.15 111.059 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.9 t -96.38 17.56 15.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 73.54 111.123 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -100.98 -2.62 31.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 73.13 110.896 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -143.65 13.85 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 75.13 111.113 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.6 tmmm? -71.69 -50.3 31.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 72.22 110.878 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.67 146.69 28.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 64.13 111.186 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 49.3 t -54.05 -28.12 17.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.434 . . . . 72.31 111.121 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.52 -32.58 42.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 60.33 110.835 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -83.07 -23.65 33.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 71.25 110.844 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 91.4 t -60.82 -65.94 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 75.52 111.152 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 28.3 mm -66.87 -24.76 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 73.31 111.105 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.68 -50.9 39.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 71.5 110.901 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -78.44 -55.01 5.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.23 -0.441 . . . . 75.15 110.935 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 64.4 mt -50.56 -27.14 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 74.15 111.124 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.9 tttt -50.96 -63.66 1.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 75.3 110.884 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -72.91 -15.68 61.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.286 -0.416 . . . . 74.24 110.886 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.15 -25.48 60.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 73.42 110.894 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 58.6 mm-40 -87.67 7.17 31.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 71.2 110.947 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 70.43 110.836 -179.778 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.601 HG23 HD12 ' A' ' 7' ' ' ILE . 95.1 m . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.831 0.348 . . . . 65.44 111.171 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -55.57 -36.6 67.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 73.32 110.828 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt -66.98 -21.82 65.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 72.22 110.87 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.601 HD12 HG23 ' A' ' 4' ' ' THR . 38.6 mt -71.18 -37.64 67.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 72.12 111.138 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.431 ' O ' HG12 ' A' ' 11' ' ' VAL . 34.1 tt0 -63.95 -28.49 69.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 74.3 110.902 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.404 ' O ' HG22 ' A' ' 12' ' ' ILE . 89.8 mt-30 -97.88 -20.06 17.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 55.35 110.915 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.9 tmmm? -88.53 -18.65 27.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 75.32 110.883 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.751 ' HB ' HD11 ' A' ' 73' ' ' ILE . 7.6 p -50.85 -37.56 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 71.1 111.137 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.568 HG13 HG21 ' A' ' 26' ' ' ILE . 5.6 tt -51.78 -41.42 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 30.44 111.105 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.4 ' N ' HG23 ' A' ' 12' ' ' ILE . 13.1 tp10 -73.62 -26.43 60.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 62.34 110.859 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.58 ' CE ' HD13 ' A' ' 50' ' ' ILE . 7.5 tpt -72.46 -62.43 1.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 65.3 110.883 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 99.0 t -56.54 -24.35 18.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 72.24 111.126 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.59 -23.46 53.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 64.34 111.134 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -102.5 -20.14 14.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.165 -0.47 . . . . 73.24 110.876 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.767 ' HB2' HD11 ' A' ' 50' ' ' ILE . 0.2 OUTLIER -70.3 -53.49 16.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 73.52 110.891 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -114.87 20.7 14.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.445 . . . . 73.34 110.897 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 34.3 t-20 52.48 47.47 24.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 71.53 110.867 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.607 ' HZ2' HD23 ' A' ' 36' ' ' LEU . 15.1 tptt -93.57 121.04 34.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 73.33 110.882 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.675 ' CB ' HD12 ' A' ' 25' ' ' ILE . 2.1 t70 -54.31 148.41 11.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 64.32 110.859 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.5 ptmt -58.92 -24.88 62.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 71.22 110.861 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.22 0.2 42.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 70.24 111.095 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.675 HD12 ' CB ' ' A' ' 22' ' ' ASP . 8.3 mt -117.05 -22.33 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 63.43 111.093 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.568 HG21 HG13 ' A' ' 12' ' ' ILE . 49.5 mm -50.83 107.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 72.55 111.129 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 34.7 p -128.69 158.57 38.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 72.05 111.146 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 70.2 p -61.43 -39.46 90.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 71.11 111.136 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -101.8 26.9 6.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 71.11 110.867 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.2 t -51.94 104.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 73.03 110.858 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 30.7 mtm180 -96.76 48.79 1.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 61.14 110.873 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.3 p90 -51.18 -31.51 20.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 60.23 110.84 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.461 HD12 ' HB3' ' A' ' 38' ' ' ALA . 5.5 tp -55.94 -42.47 71.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 75.31 111.102 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.415 ' N ' HG23 ' A' ' 33' ' ' ILE . 35.5 mm-40 -91.02 -57.21 2.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 74.2 110.918 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.71 -55.65 21.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 73.11 110.897 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.607 HD23 ' HZ2' ' A' ' 21' ' ' LYS . 0.2 OUTLIER -81.98 -5.78 58.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 74.12 110.935 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.0 mmtm 51.22 56.4 8.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.486 . . . . 71.23 110.886 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.461 ' HB3' HD12 ' A' ' 33' ' ' ILE . . . -62.45 108.71 1.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 61.4 111.066 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -63.48 176.06 0.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 75.2 110.888 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.543 ' O ' HG23 ' A' ' 44' ' ' VAL . 91.4 p -80.76 -51.14 8.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 64.15 110.834 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -58.97 -27.35 65.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 73.52 110.923 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -79.88 -46.08 17.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 54.31 110.798 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -57.8 -23.03 50.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 61.25 111.142 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 40' ' ' SER . 95.0 t -53.13 -54.09 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 73.12 111.12 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -83.67 -43.62 15.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 73.24 110.919 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 81.9 mt -52.24 -51.28 59.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 70.32 110.923 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 39.4 mtm -72.53 -25.95 61.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 63.3 110.903 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 12.5 tpt -66.64 -35.54 80.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 74.5 110.886 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.417 ' HA ' HG22 ' A' ' 52' ' ' VAL . . . -58.55 -21.78 53.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 72.01 111.1 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.767 HD11 ' HB2' ' A' ' 18' ' ' LYS . 41.0 mm -74.6 -23.39 17.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 73.54 111.074 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -83.41 -41.76 17.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 73.11 110.851 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.417 HG22 ' HA ' ' A' ' 49' ' ' ALA . 16.3 m -76.29 -19.85 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 45.01 111.14 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -85.17 -55.08 4.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 75.55 110.892 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -78.43 -25.32 45.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.464 . . . . 74.31 110.944 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 82.69 20.79 60.96 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.741 . . . . 74.52 112.473 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.577 ' CD1' HD11 ' A' ' 58' ' ' ILE . 18.0 pt -118.53 -176.85 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.798 0.332 . . . . 75.33 111.154 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.449 ' C ' HD12 ' A' ' 58' ' ' ILE . 5.4 m-20 -120.74 143.03 49.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 75.2 110.853 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.577 HD11 ' CD1' ' A' ' 56' ' ' ILE . 5.3 mp -143.62 95.38 5.86 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.672 0.748 . . . . 52.45 111.11 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 58' ' ' ILE . 53.6 Cg_endo -69.81 163.62 37.62 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.682 2.255 . . . . 72.21 112.318 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.482 ' HA ' ' HB2' ' A' ' 63' ' ' ALA . 1.2 t70 -51.47 -33.93 33.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 74.41 110.86 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -59.94 -36.37 76.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 44.34 110.931 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -105.99 11.87 31.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 70.41 110.896 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.482 ' HB2' ' HA ' ' A' ' 60' ' ' ASP . . . -58.89 -31.39 68.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 43.11 111.072 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.9 p -98.74 17.03 20.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 71.12 111.131 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.67 1.02 20.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 62.34 110.879 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.476 HD13 ' H ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -143.95 14.25 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 72.11 111.137 179.871 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.11 -45.67 47.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 64.32 110.855 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.528 ' O ' HG12 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -82.67 160.82 22.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 73.43 111.196 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.0 t -65.77 -30.77 51.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 73.45 111.125 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 t -82.96 -28.04 30.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 72.41 110.907 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -83.23 -37.55 23.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.108 -0.496 . . . . 71.4 110.881 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.528 HG12 ' O ' ' A' ' 68' ' ' THR . 7.2 p -64.91 -38.58 83.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 62.14 111.125 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.751 HD11 ' HB ' ' A' ' 11' ' ' VAL . 41.8 mm -82.76 -24.75 8.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 75.32 111.096 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.65 -35.6 29.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 74.11 110.892 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.468 ' HB3' HG22 ' A' ' 66' ' ' ILE . 70.1 t80 -82.61 -62.37 1.63 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.234 -0.439 . . . . 72.44 110.902 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.501 HD12 HG22 ' A' ' 72' ' ' VAL . 60.4 mt -48.3 -31.85 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 52.42 111.164 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -58.26 -60.01 4.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 70.41 110.886 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -69.74 -24.18 63.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 74.13 110.913 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.18 -32.26 64.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 75.5 110.924 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 55.1 mm-40 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 72.43 110.962 179.975 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' THR . . . . . 1.0 HG23 HD12 ' A' ' 7' ' ' ILE . 98.5 m . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.77 0.319 . . . . 62.04 111.113 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -54.76 -31.75 59.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 72.41 110.834 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.32 -29.92 68.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 70.33 110.896 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 1.0 HD12 HG23 ' A' ' 4' ' ' THR . 56.4 mt -60.43 -40.11 83.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 62.54 111.118 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.502 ' O ' HG12 ' A' ' 11' ' ' VAL . 22.7 tt0 -50.85 -41.07 57.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 61.43 110.925 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.689 ' O ' HG22 ' A' ' 12' ' ' ILE . 13.6 mm100 -90.76 -19.84 23.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 74.42 110.894 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.7 ttpt -74.22 -18.32 60.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 70.52 110.925 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.953 HG21 HG13 ' A' ' 69' ' ' VAL . 7.3 p -51.14 -37.44 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 72.2 111.139 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.689 HG22 ' O ' ' A' ' 9' ' ' GLN . 4.1 tt -59.09 -38.03 71.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 65.23 111.133 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -75.65 -22.09 57.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 62.02 110.88 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.606 ' CE ' HD13 ' A' ' 50' ' ' ILE . 7.6 tpt -82.69 -61.7 1.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 55.23 110.906 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 92.4 t -56.07 -24.5 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 44.32 111.133 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.6 -23.53 58.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 62.34 111.085 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -103.98 -22.95 13.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 74.13 110.853 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.5 ' HB2' HD11 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -65.69 -54.77 22.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 74.43 110.91 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.598 HD22 HD13 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -115.03 20.86 14.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 45.43 110.927 179.878 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 52.19 50.07 19.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 64.24 110.871 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.454 ' NZ ' HG21 ' A' ' 25' ' ' ILE . 0.1 OUTLIER -95.74 123.09 39.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 65.41 110.878 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.669 ' CB ' HD12 ' A' ' 25' ' ' ILE . 4.1 t70 -55.2 147.24 16.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 75.42 110.874 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -59.6 -20.58 56.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 62.45 110.91 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.92 1.57 53.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 54.22 111.103 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.669 HD12 ' CB ' ' A' ' 22' ' ' ASP . 9.7 mt -118.55 -21.15 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 51.2 111.103 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 48.2 mm -49.37 107.04 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 74.12 111.164 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.595 HG23 ' O ' ' A' ' 25' ' ' ILE . 61.1 p -106.92 178.88 4.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 73.22 111.123 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 72.0 p -89.13 -21.08 23.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 73.02 111.093 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -90.18 -23.38 21.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.277 -0.42 . . . . 73.44 110.87 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 48.31 75.33 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 51.55 110.852 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -103.73 30.85 4.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 71.24 110.854 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 10.7 p90 -51.96 -32.4 33.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 72.14 110.917 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.418 HG23 ' N ' ' A' ' 34' ' ' GLU . 5.4 tp -55.92 -42.33 70.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 73.32 111.124 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.418 ' N ' HG23 ' A' ' 33' ' ' ILE . 3.4 tp10 -90.94 -57.01 2.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 74.13 110.891 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -52.68 -55.65 21.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 73.24 110.867 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.77 -10.64 59.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 64.52 110.948 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.9 tmtt? 57.13 46.17 19.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 61.24 110.936 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.98 147.46 52.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 63.24 111.099 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -93.03 173.92 7.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 70.34 110.863 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 53.0 p -80.5 -40.43 26.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 61.22 110.84 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -73.19 -21.76 60.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 54.01 110.92 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -80.79 -39.84 26.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 71.33 110.867 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -56.55 -23.97 43.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.145 -0.48 . . . . 64.43 111.13 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 83.7 t -53.04 -52.44 29.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 55.45 111.134 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -83.59 -44.17 14.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 65.44 110.898 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.598 HD13 HD22 ' A' ' 19' ' ' LEU . 94.1 mt -51.91 -44.45 63.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 74.2 110.901 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 52.7 mtm -78.4 -29.93 47.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 65.55 110.92 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.4 tpt -55.52 -32.08 62.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 73.33 110.861 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.427 ' HA ' HG22 ' A' ' 52' ' ' VAL . . . -61.11 -18.71 59.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 54.33 111.122 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.606 HD13 ' CE ' ' A' ' 14' ' ' MET . 40.2 mm -77.7 -23.65 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 74.05 111.168 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.545 ' OE1' HD12 ' A' ' 58' ' ' ILE . 3.1 mm-40 -83.65 -41.11 18.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 71.32 110.883 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.427 HG22 ' HA ' ' A' ' 49' ' ' ALA . 16.5 m -74.47 -21.83 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 72.14 111.15 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -84.77 -55.26 4.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 75.24 110.839 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -75.19 -25.24 58.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 74.43 110.93 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 74.53 15.71 80.37 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.774 -0.727 . . . . 74.04 112.465 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.409 HD11 HD11 ' A' ' 58' ' ' ILE . 45.0 pt -110.78 -175.52 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.825 0.345 . . . . 73.34 111.113 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -119.01 134.81 54.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 64.24 110.886 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.545 HD12 ' OE1' ' A' ' 51' ' ' GLU . 2.7 mp -137.47 95.75 11.28 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.613 0.72 . . . . 75.3 111.178 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 58' ' ' ILE . 54.3 Cg_endo -69.74 163.85 36.72 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.651 2.234 . . . . 60.51 112.388 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.426 ' HA ' ' HB2' ' A' ' 63' ' ' ALA . 33.3 m-20 -50.41 -40.5 50.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.293 -0.412 . . . . 64.53 110.91 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -54.61 -36.66 64.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 63.43 110.865 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -106.15 11.9 30.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 73.14 110.886 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.426 ' HB2' ' HA ' ' A' ' 60' ' ' ASP . . . -72.04 -15.5 62.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 70.52 111.113 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 70.4 p -106.61 17.59 23.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.211 -0.45 . . . . 52.14 111.142 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.5 mmmt -119.52 7.43 11.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 75.01 110.879 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.474 HD13 ' H ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -143.82 14.28 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 73.14 111.074 179.908 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.31 -44.86 50.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 72.15 110.907 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.522 ' O ' HG12 ' A' ' 72' ' ' VAL . 0.2 OUTLIER -82.84 160.41 22.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 64.55 111.158 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.953 HG13 HG21 ' A' ' 11' ' ' VAL . 98.1 t -65.71 -30.9 51.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 54.52 111.089 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.2 t -83.23 -28.04 29.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 65.1 110.894 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -83.14 -37.2 24.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 54.2 110.85 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.522 HG12 ' O ' ' A' ' 68' ' ' THR . 7.2 p -64.97 -38.27 82.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 62.45 111.089 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.681 HD12 HG22 ' A' ' 7' ' ' ILE . 40.3 mm -83.16 -25.12 8.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 74.42 111.154 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.7 -34.94 30.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 74.33 110.895 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.471 ' HB3' HG22 ' A' ' 66' ' ' ILE . 42.9 t80 -82.86 -62.12 1.69 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 74.21 110.875 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.507 HD12 HG22 ' A' ' 72' ' ' VAL . 64.8 mt -48.22 -37.18 6.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 73.53 111.144 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.1 tttp -51.52 -39.52 57.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 73.54 110.916 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.38 -17.69 26.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 74.21 110.879 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.17 -46.68 49.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 72.24 110.861 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 73.23 110.855 -179.902 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' THR . . . . . 1.132 HG23 HD12 ' A' ' 7' ' ' ILE . 4.3 m . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.8 0.333 . . . . 72.15 111.128 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -103.96 -41.16 5.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 75.42 110.838 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.8 mmtp -67.09 -31.37 71.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 75.33 110.908 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 1.132 HD12 HG23 ' A' ' 4' ' ' THR . 71.4 mt -56.02 -31.56 31.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 71.01 111.149 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.411 ' O ' HG12 ' A' ' 11' ' ' VAL . 13.9 tt0 -61.35 -66.88 0.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 74.44 110.859 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.636 ' O ' HG22 ' A' ' 12' ' ' ILE . 38.0 tt0 -64.43 -19.98 65.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 72.33 110.913 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.6 ttpp -77.55 -4.61 46.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 75.1 110.904 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.665 HG21 HG13 ' A' ' 69' ' ' VAL . 9.8 p -66.78 -28.63 43.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 53.34 111.123 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.636 HG22 ' O ' ' A' ' 9' ' ' GLN . 4.1 tt -69.58 -38.35 76.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 51.52 111.099 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -76.84 -20.8 55.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.453 . . . . 72.11 110.875 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.578 ' CE ' HD13 ' A' ' 50' ' ' ILE . 8.0 tpt -78.02 -62.61 1.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 72.41 110.852 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 64.8 t -58.42 -24.4 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 72.52 111.116 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.67 -23.25 60.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 71.44 111.131 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -103.54 -33.36 9.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 71.43 110.902 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.747 ' HB2' HD11 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -52.47 -55.28 23.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 73.01 110.931 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.7 ' CD2' HD13 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -115.12 20.6 14.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 73.43 110.929 179.917 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.2 m120 51.49 42.29 29.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 62.45 110.909 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.494 ' HE2' HG21 ' A' ' 25' ' ' ILE . 4.2 tptm -86.13 125.16 33.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 73.42 110.938 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.556 ' CB ' HD12 ' A' ' 25' ' ' ILE . 6.3 t0 -58.57 151.34 20.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 51.12 110.86 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 37.7 mtpt -59.11 -25.19 63.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 72.43 110.865 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.53 -1.13 40.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 74.03 111.125 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.556 HD12 ' CB ' ' A' ' 22' ' ' ASP . 7.6 mt -116.01 -21.92 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 74.14 111.171 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.546 HG21 HG13 ' A' ' 12' ' ' ILE . 37.4 mm -50.99 110.56 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 74.13 111.096 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.8 p -142.95 142.4 31.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 74.33 111.153 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.7 t -55.99 -31.86 63.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 52.52 111.115 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -100.71 25.12 8.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.274 -0.421 . . . . 75.12 110.912 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.7 p -59.57 140.96 55.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.472 . . . . 75.03 110.866 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 59.9 mtm180 -130.01 49.22 2.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 73.21 110.861 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -50.53 -32.53 18.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 51.55 110.905 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.435 HG23 ' N ' ' A' ' 34' ' ' GLU . 5.3 tp -55.65 -43.93 74.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 53.42 111.107 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.435 ' N ' HG23 ' A' ' 33' ' ' ILE . 8.1 tp10 -91.11 -57.23 2.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 71.25 110.843 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -52.67 -55.58 21.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 72.21 110.85 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.551 HD23 HD12 ' A' ' 19' ' ' LEU . 2.2 tp -81.75 -6.22 58.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 73.22 110.92 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? 51.5 55.72 8.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 64.54 110.911 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.96 112.12 3.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 75.13 111.106 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -56.53 175.56 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 72.32 110.866 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.2 t -77.07 -54.94 5.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 54.23 110.89 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -61.36 -24.39 66.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 61.23 110.928 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -81.21 -49.13 11.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 70.45 110.865 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.626 ' HA ' HD12 ' A' ' 46' ' ' LEU . 4.1 p -52.63 -52.24 56.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 75.02 111.121 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.8 m -50.74 -32.68 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 70.14 111.089 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -83.97 -37.13 22.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 72.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.7 HD13 ' CD2' ' A' ' 19' ' ' LEU . 9.4 mt -66.9 -56.33 10.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 64.31 110.932 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 32.8 mtm -61.07 -31.48 71.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 71.41 110.897 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 11.3 tpt -52.41 -40.5 62.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 74.22 110.885 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.408 ' HA ' HG22 ' A' ' 52' ' ' VAL . . . -55.72 -29.6 59.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 62.44 111.093 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.747 HD11 ' HB2' ' A' ' 18' ' ' LYS . 46.0 mm -64.83 -23.14 32.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 74.12 111.143 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.48 ' HG3' HD12 ' A' ' 58' ' ' ILE . 1.0 OUTLIER -82.71 -46.37 13.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 62.43 110.902 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.408 HG22 ' HA ' ' A' ' 49' ' ' ALA . 16.0 m -76.18 -16.45 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 74.11 111.08 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -81.85 -55.06 4.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 62.42 110.897 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -82.16 -25.03 34.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 74.12 110.932 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 87.73 30.5 18.04 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.721 -0.752 . . . . 60.44 112.469 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 17.6 pt -125.2 -178.37 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.795 0.331 . . . . 72.32 111.157 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -121.6 136.57 54.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 64.22 110.831 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.48 HD12 ' HG3' ' A' ' 51' ' ' GLU . 4.4 mp -140.11 95.44 8.45 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.675 0.75 . . . . 61.32 111.161 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 58' ' ' ILE . 53.1 Cg_endo -69.79 163.67 37.42 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.664 2.243 . . . . 64.31 112.297 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.425 ' HA ' ' HB2' ' A' ' 63' ' ' ALA . 40.6 m-20 -51.39 -36.09 41.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 40.01 110.891 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -58.66 -35.99 73.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 74.13 110.843 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -105.93 11.76 31.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 75.43 110.879 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.425 ' HB2' ' HA ' ' A' ' 60' ' ' ASP . . . -68.7 -14.27 62.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 53.24 111.092 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 23.4 p -107.01 17.06 23.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 72.43 111.178 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.0 mmtm -119.11 8.45 11.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 54.05 110.881 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.622 ' O ' HG22 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -144.56 14.15 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 71.41 111.148 179.882 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.4 tttt -73.45 -55.15 6.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 74.24 110.881 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.774 ' O ' HG23 ' A' ' 72' ' ' VAL . 0.8 OUTLIER -74.63 146.49 42.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 65.31 111.154 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.665 HG13 HG21 ' A' ' 11' ' ' VAL . 57.9 t -53.03 -31.47 17.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 64.31 111.143 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.4 t -77.05 -33.04 57.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 75.24 110.885 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -83.19 -22.73 33.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 62.22 110.863 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.774 HG23 ' O ' ' A' ' 68' ' ' THR . 77.3 t -60.44 -66.35 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 62.0 111.154 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.809 HD12 HG22 ' A' ' 7' ' ' ILE . 29.6 mm -66.06 -39.2 83.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 60.4 111.151 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.63 -53.77 50.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 51.31 110.913 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.421 ' HB3' HG22 ' A' ' 66' ' ' ILE . 41.6 t80 -73.49 -55.76 5.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.216 -0.447 . . . . 72.3 110.949 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.506 HD12 ' CG1' ' A' ' 72' ' ' VAL . 86.5 mt -49.78 -28.32 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 74.53 111.141 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 18.4 ttmm -59.71 -66.5 0.5 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 75.11 110.896 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -61.9 -26.48 68.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 71.42 110.842 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.47 -31.3 63.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 70.3 110.869 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 72.21 110.947 -179.947 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' THR . . . . . 1.06 HG23 HD12 ' A' ' 7' ' ' ILE . 10.9 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.786 0.327 . . . . 75.35 111.151 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -110.73 -48.81 3.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 75.22 110.861 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.83 -35.47 63.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 61.24 110.9 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 1.06 HD12 HG23 ' A' ' 4' ' ' THR . 63.0 mt -53.89 -33.25 23.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 65.02 111.164 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -54.06 -66.54 0.38 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 74.44 110.904 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.709 ' O ' HG22 ' A' ' 12' ' ' ILE . 9.6 mm-40 -68.85 -23.8 64.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 52.23 110.882 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.9 tmmm? -68.67 -12.94 62.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 65.34 110.902 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.698 HG21 HG13 ' A' ' 69' ' ' VAL . 7.6 p -57.11 -29.67 32.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 75.32 111.111 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.709 HG22 ' O ' ' A' ' 9' ' ' GLN . 4.1 tt -64.96 -38.23 82.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 74.53 111.099 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -76.22 -20.78 57.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 72.23 110.908 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 6.8 tpt -82.21 -61.9 1.77 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 50.23 110.885 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.415 HG21 HG22 ' A' ' 69' ' ' VAL . 94.2 t -52.91 -39.66 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 65.14 111.108 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.68 -23.8 53.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 52.32 111.093 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -105.49 -20.42 13.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 62.34 110.898 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.526 ' HB2' HD11 ' A' ' 50' ' ' ILE . 5.1 ttmt -65.24 -56.64 11.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 74.32 110.907 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.783 HD12 HD23 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -115.83 18.18 15.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 71.21 110.905 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 33.5 t30 56.01 55.7 6.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 75.43 110.899 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.45 121.0 41.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 63.12 110.886 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.683 ' CB ' HD12 ' A' ' 25' ' ' ILE . 5.2 t70 -50.94 145.73 6.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 62.13 110.838 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.6 ptpt -58.82 -24.39 61.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 65.3 110.879 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.74 1.58 38.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 61.11 111.109 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.683 HD12 ' CB ' ' A' ' 22' ' ' ASP . 9.4 mt -118.87 -22.49 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 75.24 111.144 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.552 HG21 HG13 ' A' ' 12' ' ' ILE . 45.4 mm -50.05 117.92 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 74.3 111.136 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 12.0 p -137.55 149.51 46.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.182 -0.463 . . . . 54.1 111.129 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 79.9 p -52.2 -39.82 60.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 44.23 111.149 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -100.98 29.38 4.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 73.52 110.854 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.1 t -49.66 118.39 2.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 65.55 110.865 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 67.8 mtm180 -109.38 50.11 0.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 64.32 110.896 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -48.67 -33.41 9.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 55.41 110.885 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.426 HG23 ' N ' ' A' ' 34' ' ' GLU . 5.4 tp -56.0 -43.58 75.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 75.01 111.125 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.426 ' N ' HG23 ' A' ' 33' ' ' ILE . 38.1 mt-10 -91.04 -56.84 3.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 71.32 110.859 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -53.64 -55.71 23.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 54.23 110.914 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.783 HD23 HD12 ' A' ' 19' ' ' LEU . 2.4 tp -82.47 -3.58 56.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 75.14 110.97 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.8 tptm 51.14 52.35 15.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 65.1 110.939 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.18 114.54 3.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 64.42 111.105 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.419 ' O ' HG23 ' A' ' 43' ' ' THR . 2.8 m-20 -54.95 176.04 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 75.1 110.837 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.9 m -85.95 -40.32 15.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 53.44 110.859 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.446 ' O ' HG12 ' A' ' 44' ' ' VAL . 2.2 pt? -74.8 -27.05 60.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 64.15 110.911 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -82.19 -40.07 22.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 74.31 110.914 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.625 ' HA ' HD12 ' A' ' 46' ' ' LEU . 0.8 OUTLIER -51.37 -54.4 26.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 72.54 111.165 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.446 HG12 ' O ' ' A' ' 41' ' ' LEU . 10.2 p -50.32 -30.57 7.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 53.02 111.167 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -84.15 -40.05 18.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 73.24 110.898 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.632 HD13 ' CD2' ' A' ' 19' ' ' LEU . 6.9 mt -66.09 -56.4 11.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 74.4 110.922 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 33.8 mtm -59.77 -32.92 71.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 51.31 110.913 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.499 ' CE ' HG13 ' A' ' 52' ' ' VAL . 10.2 tpt -52.81 -35.64 57.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 63.05 110.897 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.407 ' HA ' HG22 ' A' ' 52' ' ' VAL . . . -56.75 -33.45 66.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 71.23 111.135 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.526 HD11 ' HB2' ' A' ' 18' ' ' LYS . 38.8 mm -60.91 -23.96 31.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 72.35 111.15 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.463 ' HG2' HD13 ' A' ' 58' ' ' ILE . 9.9 mt-10 -81.66 -50.36 9.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 61.12 110.902 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.499 HG13 ' CE ' ' A' ' 48' ' ' MET . 15.6 m -71.94 -16.17 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 64.32 111.102 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -85.43 -55.04 4.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 72.44 110.942 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -76.78 -25.27 53.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 74.4 110.879 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.77 18.67 59.46 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.738 . . . . 71.54 112.519 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 15.8 pt -113.04 -178.29 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.853 0.359 . . . . 62.35 111.127 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.506 ' C ' HD12 ' A' ' 58' ' ' ILE . 23.6 m-20 -118.34 144.71 45.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 74.35 110.867 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.506 HD12 ' C ' ' A' ' 57' ' ' ASP . 5.3 mp -144.6 95.49 5.36 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.625 0.726 . . . . 73.33 111.108 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 163.68 37.4 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.665 2.243 . . . . 61.25 112.358 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.481 ' HA ' ' HB2' ' A' ' 63' ' ' ALA . 4.4 m-20 -51.43 -36.21 42.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.205 -0.452 . . . . 72.34 110.872 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -58.49 -35.54 72.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 72.51 110.83 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -106.02 11.9 31.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 74.25 110.858 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.481 ' HB2' ' HA ' ' A' ' 60' ' ' ASP . . . -60.99 -27.53 68.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 71.01 111.117 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.4 p -101.18 17.43 22.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 73.12 111.11 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.12 3.42 20.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 51.11 110.885 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.645 ' O ' HG22 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -144.0 14.2 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 72.51 111.123 179.83 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.05 -52.48 16.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 73.25 110.929 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.774 ' O ' HG23 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -79.93 146.47 32.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 73.32 111.163 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.698 HG13 HG21 ' A' ' 11' ' ' VAL . 26.2 t -53.66 -28.44 16.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 73.32 111.154 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.5 p -78.95 -33.51 45.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 70.34 110.831 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -82.85 -22.78 33.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 74.4 110.822 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.774 HG23 ' O ' ' A' ' 68' ' ' THR . 95.5 t -61.28 -66.31 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 70.21 111.089 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.814 HD12 HG22 ' A' ' 7' ' ' ILE . 32.7 mm -67.08 -23.9 31.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 73.14 111.143 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.88 -54.33 16.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 74.34 110.929 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.409 ' HB3' HG22 ' A' ' 66' ' ' ILE . 68.0 t80 -75.54 -54.25 7.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 74.45 110.945 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.499 HD12 ' CG1' ' A' ' 72' ' ' VAL . 70.3 mt -48.89 -28.76 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 45.23 111.166 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 51.9 tttt -61.71 -66.33 0.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 62.03 110.889 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -60.58 -26.87 67.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 61.44 110.873 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.22 -34.62 66.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 73.22 110.853 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 41.3 mm-40 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 63.51 110.882 -179.912 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.957 HG23 HD12 ' A' ' 7' ' ' ILE . 28.6 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.778 0.323 . . . . 63.11 111.157 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -51.62 -41.34 61.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 74.41 110.871 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.76 -39.91 74.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 73.21 110.923 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.957 HD12 HG23 ' A' ' 4' ' ' THR . 70.2 mt -54.02 -35.54 28.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 74.23 111.127 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.466 ' O ' HG12 ' A' ' 11' ' ' VAL . 35.6 tt0 -52.67 -53.01 53.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 54.23 110.895 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.632 ' O ' HG22 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -82.16 -20.06 38.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 63.13 110.947 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -78.84 -4.72 50.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 72.22 110.864 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.595 ' HB ' HD11 ' A' ' 73' ' ' ILE . 7.3 p -66.58 -29.66 47.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 70.45 111.115 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.633 HG13 HG21 ' A' ' 26' ' ' ILE . 4.1 tt -71.8 -37.25 61.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 60.33 111.179 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -74.04 -22.94 59.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 73.31 110.917 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.565 ' CE ' HD13 ' A' ' 50' ' ' ILE . 7.8 tpt -74.71 -62.62 1.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 64.44 110.869 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.5 t -53.58 -39.52 37.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 63.22 111.172 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.444 ' HB2' HD11 ' A' ' 26' ' ' ILE . . . -59.22 -23.32 62.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 64.22 111.134 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -103.44 -23.17 13.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 73.35 110.852 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.761 ' HB2' HD11 ' A' ' 50' ' ' ILE . 6.4 tmtm? -61.73 -57.31 12.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 74.44 110.879 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.639 HD22 HD13 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -115.8 20.82 14.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 75.55 110.885 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 54.6 62.8 2.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 65.4 110.887 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.7 126.22 54.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 73.13 110.946 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.548 ' CB ' HD12 ' A' ' 25' ' ' ILE . 6.4 t70 -58.81 151.8 20.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.437 . . . . 64.53 110.896 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.9 -19.3 50.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 74.22 110.86 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.66 1.58 54.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.416 . . . . 73.21 111.098 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.548 HD12 ' CB ' ' A' ' 22' ' ' ASP . 9.3 mt -117.94 -21.36 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 65.2 111.108 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.633 HG21 HG13 ' A' ' 12' ' ' ILE . 33.1 mm -50.69 111.43 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 62.51 111.117 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 12.9 p -115.63 162.02 17.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 62.13 111.159 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 72.4 p -69.98 -28.41 65.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 72.42 111.127 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.469 ' O ' HG22 ' A' ' 68' ' ' THR . 28.0 m-20 -79.84 -22.6 42.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 70.21 110.866 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.477 ' OG ' HG23 ' A' ' 69' ' ' VAL . 1.2 m 52.28 69.21 0.7 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 65.35 110.826 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 50.0 mtp180 -99.46 33.24 2.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.053 -0.521 . . . . 74.22 110.897 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -51.35 -32.55 26.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 71.41 110.858 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.475 HD12 ' HB3' ' A' ' 38' ' ' ALA . 5.4 tp -55.84 -42.87 72.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 65.41 111.091 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.419 ' N ' HG23 ' A' ' 33' ' ' ILE . 57.6 tt0 -91.06 -57.15 2.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 71.43 110.905 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -52.91 -55.63 21.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 64.34 110.885 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.12 -5.24 58.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 72.14 110.893 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp 51.14 56.71 7.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 63.43 110.898 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.475 ' HB3' HD12 ' A' ' 33' ' ' ILE . . . -62.92 156.17 25.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 62.31 111.118 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -100.87 175.81 5.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 73.34 110.837 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.1 t -79.89 -54.63 5.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 73.33 110.888 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -68.36 -22.12 64.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 71.32 110.921 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -76.69 -47.28 22.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 72.13 110.845 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -54.52 -26.16 30.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 74.54 111.1 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 46.8 t -59.5 -48.78 86.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 62.15 111.121 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -83.55 -34.81 25.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 71.52 110.916 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.639 HD13 HD22 ' A' ' 19' ' ' LEU . 89.9 mt -64.0 -57.92 8.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 62.23 110.922 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 37.8 mtm -58.44 -24.03 59.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 63.21 110.868 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.42 ' CE ' HG13 ' A' ' 52' ' ' VAL . 9.6 tpt -71.5 -35.8 70.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.424 . . . . 74.33 110.874 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.427 ' HA ' HG22 ' A' ' 52' ' ' VAL . . . -55.26 -33.75 63.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 72.45 111.1 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.761 HD11 ' HB2' ' A' ' 18' ' ' LYS . 38.0 mm -61.84 -23.44 31.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 70.42 111.097 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -81.89 -48.02 12.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 62.32 110.856 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.427 HG22 ' HA ' ' A' ' 49' ' ' ALA . 16.0 m -74.43 -16.98 16.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 62.53 111.126 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -82.2 -55.14 4.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 71.44 110.879 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.434 ' CE1' HG23 ' A' ' 7' ' ' ILE . 4.5 m-85 -80.08 -25.13 40.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 73.34 110.929 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 89.4 29.87 15.53 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.71 -0.757 . . . . 65.42 112.482 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.638 ' CD1' HD11 ' A' ' 58' ' ' ILE . 16.7 pt -132.05 -177.75 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.817 0.341 . . . . 70.41 111.098 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -122.61 139.39 53.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 63.42 110.84 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.666 HG21 ' CD1' ' A' ' 66' ' ' ILE . 4.7 mp -141.14 95.43 7.48 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.654 0.74 . . . . 74.31 111.162 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 58' ' ' ILE . 53.9 Cg_endo -69.7 163.7 37.23 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.7 2.267 . . . . 72.43 112.347 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.422 ' HA ' ' HB2' ' A' ' 63' ' ' ALA . 8.0 m-20 -51.59 -30.79 22.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 65.52 110.825 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -63.54 -37.12 86.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.472 . . . . 74.13 110.897 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -105.15 11.9 32.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 75.05 110.884 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.422 ' HB2' ' HA ' ' A' ' 60' ' ' ASP . . . -57.81 -22.71 48.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 72.12 111.147 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 16.9 p -96.15 -8.28 33.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 62.41 111.138 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.82 -7.55 59.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 53.24 110.87 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.666 ' CD1' HG21 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -144.04 15.44 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 74.23 111.159 179.862 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.1 tttm -70.32 -45.91 65.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 72.5 110.909 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.773 ' O ' HG23 ' A' ' 72' ' ' VAL . 0.4 OUTLIER -89.57 146.41 24.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 71.22 111.149 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.479 HG13 ' CG2' ' A' ' 11' ' ' VAL . 93.4 t -54.31 -26.18 15.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 62.32 111.129 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.8 t -79.96 -34.7 38.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 64.54 110.875 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -83.07 -22.48 33.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 74.25 110.867 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.773 HG23 ' O ' ' A' ' 68' ' ' THR . 80.6 t -60.24 -65.97 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 73.03 111.123 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.784 HD12 HG22 ' A' ' 7' ' ' ILE . 25.2 mm -68.28 -24.78 30.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.464 . . . . 55.13 111.114 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? -70.43 -46.56 63.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 70.01 110.88 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -82.48 -56.28 3.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 71.24 110.911 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.466 HD12 ' CG1' ' A' ' 72' ' ' VAL . 64.7 mt -48.07 -31.39 2.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 73.21 111.129 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.2 tttt -51.91 -66.91 0.3 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 73.33 110.922 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -67.67 -20.4 65.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.439 . . . . 73.54 110.884 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.14 -28.39 62.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 72.4 110.859 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 71.2 110.906 -179.936 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' THR . . . . . 1.098 HG23 HD12 ' A' ' 7' ' ' ILE . 40.0 m . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.786 0.327 . . . . 75.04 111.109 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -136.03 -54.0 0.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 73.54 110.861 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -56.46 -25.57 51.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 72.44 110.903 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 1.098 HD12 HG23 ' A' ' 4' ' ' THR . 45.2 mt -60.87 -31.84 50.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 70.32 111.125 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -58.01 -38.75 76.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 74.13 110.894 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.714 ' O ' HG22 ' A' ' 12' ' ' ILE . 9.9 mt-30 -91.97 -28.56 17.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 73.04 110.875 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.1 ttmt -65.11 -17.55 64.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 64.11 110.897 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.731 HG21 HG13 ' A' ' 69' ' ' VAL . 10.8 p -51.41 -30.22 10.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 75.2 111.116 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.714 HG22 ' O ' ' A' ' 9' ' ' GLN . 4.5 tt -64.93 -38.69 83.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 63.14 111.095 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -74.3 -22.77 59.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 73.13 110.893 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.602 ' CE ' HD13 ' A' ' 50' ' ' ILE . 8.2 tpt -81.08 -62.12 1.76 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 64.1 110.859 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.536 HG21 HG22 ' A' ' 69' ' ' VAL . 57.8 t -56.42 -24.51 18.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 65.35 111.136 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.81 -23.28 55.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 74.33 111.098 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -104.25 -17.25 14.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 72.45 110.875 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.756 ' HB2' HD11 ' A' ' 50' ' ' ILE . 0.7 OUTLIER -68.76 -57.84 5.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 65.13 110.925 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.714 HD21 HD13 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -115.96 20.73 14.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.283 -0.417 . . . . 65.32 110.925 179.891 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 54.9 52.83 11.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 64.32 110.894 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.39 120.96 39.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 74.24 110.904 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.491 ' HB3' HD12 ' A' ' 25' ' ' ILE . 0.7 OUTLIER -62.81 154.42 29.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 70.13 110.899 179.892 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.4 ptmm? -57.72 -22.94 49.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 74.21 110.934 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.88 -6.34 52.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 60.53 111.098 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.491 HD12 ' HB3' ' A' ' 22' ' ' ASP . 4.5 mp -117.13 -23.19 4.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 62.41 111.152 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.684 HG21 HG13 ' A' ' 12' ' ' ILE . 43.9 mm -49.88 104.33 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.476 . . . . 74.11 111.076 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.404 HG23 ' O ' ' A' ' 25' ' ' ILE . 37.2 p -129.44 148.49 51.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 54.31 111.192 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 48.5 p -55.17 -25.96 35.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.432 . . . . 63.54 111.144 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -118.47 28.9 8.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 73.11 110.898 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.76 108.44 0.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 65.22 110.849 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 -102.21 49.23 0.86 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 74.41 110.864 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -50.83 -31.88 18.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 73.34 110.889 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.416 HG23 ' N ' ' A' ' 34' ' ' GLU . 5.5 tp -55.87 -42.23 69.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 72.24 111.104 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.416 ' N ' HG23 ' A' ' 33' ' ' ILE . 10.8 mt-10 -90.82 -57.19 2.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 70.55 110.886 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -52.45 -55.56 21.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 62.4 110.907 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.618 ' O ' HD23 ' A' ' 36' ' ' LEU . 1.3 tt -81.79 -6.55 59.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 74.21 110.898 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp 50.93 54.5 11.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 72.32 110.881 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.03 126.88 28.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 62.23 111.127 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -55.51 176.07 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 54.13 110.895 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.8 t -98.28 -26.63 14.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 43.01 110.889 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.622 ' O ' HG22 ' A' ' 44' ' ' VAL . 2.1 pt? -80.89 -30.15 35.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 75.14 110.949 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -81.86 -34.53 30.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.483 . . . . 55.24 110.883 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.755 ' HA ' HD12 ' A' ' 46' ' ' LEU . 0.7 OUTLIER -50.87 -48.98 60.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 73.44 111.161 -179.839 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.622 HG22 ' O ' ' A' ' 41' ' ' LEU . 17.7 m -50.02 -31.71 7.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 75.52 111.133 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -84.61 -41.44 16.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.136 -0.484 . . . . 73.51 110.87 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.755 HD12 ' HA ' ' A' ' 43' ' ' THR . 3.5 mt -62.91 -53.64 51.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.466 . . . . 75.33 110.939 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 29.4 mtm -62.05 -35.3 78.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 74.14 110.868 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.55 ' CE ' HG13 ' A' ' 52' ' ' VAL . 9.8 tpt -52.1 -41.57 62.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 72.24 110.884 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.17 -34.26 60.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 53.31 111.139 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.756 HD11 ' HB2' ' A' ' 18' ' ' LYS . 42.1 mm -62.73 -23.26 32.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 74.43 111.088 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.691 ' OE1' HD13 ' A' ' 58' ' ' ILE . 3.0 mm-40 -81.65 -45.21 16.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 71.32 110.919 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.55 HG13 ' CE ' ' A' ' 48' ' ' MET . 15.4 m -77.6 -16.07 14.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 72.1 111.136 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -84.48 -55.08 4.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 65.1 110.9 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -82.8 -25.13 33.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 72.23 110.896 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 73.69 38.04 51.11 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.773 -0.727 . . . . 71.12 112.493 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.599 ' CD1' HD11 ' A' ' 58' ' ' ILE . 11.2 pt -120.33 179.68 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.878 0.37 . . . . 75.13 111.082 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.509 ' C ' HD12 ' A' ' 58' ' ' ILE . 22.6 t0 -115.33 135.03 54.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 51.04 110.853 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.691 HD13 ' OE1' ' A' ' 51' ' ' GLU . 5.3 mp -144.88 95.52 5.22 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.631 0.729 . . . . 74.33 111.118 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 163.71 37.28 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.677 2.252 . . . . 63.52 112.357 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.477 ' HA ' ' HB2' ' A' ' 63' ' ' ALA . 43.6 t0 -51.4 -33.93 32.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 64.24 110.901 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -60.53 -36.37 78.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 73.35 110.846 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -106.07 11.85 31.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 75.13 110.898 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.477 ' HB2' ' HA ' ' A' ' 60' ' ' ASP . . . -59.39 -22.14 60.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 62.03 111.079 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 10.2 t -106.82 13.12 28.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 52.12 111.14 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -103.42 2.93 34.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 72.41 110.891 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.585 ' O ' HG22 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -143.7 13.27 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 74.23 111.173 179.886 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.1 ttpt -72.32 -53.37 12.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 71.41 110.896 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.764 ' O ' HG23 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -78.77 146.89 33.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 70.23 111.153 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.731 HG13 HG21 ' A' ' 11' ' ' VAL . 27.7 t -55.1 -27.01 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 52.23 111.142 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 27.2 t -77.48 -36.23 52.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 72.24 110.857 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.86 -21.73 34.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 71.25 110.869 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.764 HG23 ' O ' ' A' ' 68' ' ' THR . 75.5 t -60.61 -66.13 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 53.55 111.138 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.769 HD12 HG22 ' A' ' 7' ' ' ILE . 46.9 mm -68.58 -24.52 29.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 65.1 111.126 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.95 -46.74 61.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 71.2 110.932 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.402 ' HB3' HG22 ' A' ' 66' ' ' ILE . 55.6 t80 -80.26 -57.47 3.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 75.42 110.897 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 53.3 mt -50.44 -25.96 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 72.11 111.17 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.3 ttpt -50.07 -61.64 2.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 73.45 110.874 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -76.38 -16.24 59.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 55.31 110.9 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.14 -36.57 66.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 55.12 110.862 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 72.45 110.919 -179.974 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.767 HG23 HD12 ' A' ' 7' ' ' ILE . 5.8 m . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.763 0.316 . . . . 75.5 111.112 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -117.91 -34.89 4.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.44 . . . . 70.43 110.836 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -80.37 -14.63 58.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 73.25 110.935 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.767 HD12 HG23 ' A' ' 4' ' ' THR . 17.8 mt -72.0 -29.98 35.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 73.44 111.147 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.601 ' O ' HG12 ' A' ' 11' ' ' VAL . 18.6 tt0 -66.35 -39.41 89.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 74.11 110.875 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.552 ' O ' HG22 ' A' ' 12' ' ' ILE . 23.1 tt0 -88.87 -19.91 25.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 73.24 110.926 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -87.18 -22.1 25.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 74.03 110.924 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.601 HG12 ' O ' ' A' ' 8' ' ' GLU . 7.8 p -54.03 -29.95 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 74.41 111.173 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.704 HG13 HG21 ' A' ' 26' ' ' ILE . 4.6 tt -56.09 -40.38 63.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.486 . . . . 74.34 111.162 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -77.88 -24.36 48.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.149 -0.478 . . . . 73.11 110.898 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.61 ' CE ' HD13 ' A' ' 50' ' ' ILE . 8.0 tpt -71.63 -62.39 1.43 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 74.23 110.928 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 97.6 t -56.72 -24.17 18.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.461 . . . . 73.44 111.137 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.428 ' HB2' HD11 ' A' ' 26' ' ' ILE . . . -76.03 -23.56 55.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 73.43 111.083 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -104.1 -17.39 14.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 43.51 110.879 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.715 ' HB2' HD11 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -69.18 -57.46 5.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 73.44 110.895 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.775 HD12 HD22 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -115.84 20.66 14.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 63.51 110.908 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 55.4 62.94 2.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 73.03 110.907 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.36 120.81 43.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 63.43 110.88 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -56.8 155.39 7.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 73.34 110.83 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -55.75 -33.56 64.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 71.14 110.923 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.89 -19.27 61.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 73.21 111.079 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.604 ' O ' HG22 ' A' ' 27' ' ' THR . 13.2 mm -92.43 -26.87 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 52.11 111.124 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.704 HG21 HG13 ' A' ' 12' ' ' ILE . 45.8 mm -51.0 116.45 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 74.12 111.152 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.604 HG22 ' O ' ' A' ' 25' ' ' ILE . 1.7 t -153.17 158.44 41.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 63.42 111.173 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.0 t -71.27 -11.26 60.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 35.04 111.134 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -117.03 22.72 12.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 61.11 110.845 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.429 ' N ' HG23 ' A' ' 27' ' ' THR . 1.2 p -56.92 129.46 41.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 70.51 110.844 -179.752 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -120.74 47.41 1.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.495 . . . . 72.42 110.885 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -49.94 -32.97 16.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 71.34 110.903 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.502 ' HA ' ' HB3' ' A' ' 38' ' ' ALA . 5.4 tp -56.01 -43.95 76.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 72.01 111.116 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.427 ' N ' HG23 ' A' ' 33' ' ' ILE . 7.3 tp10 -91.25 -57.2 2.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 75.14 110.92 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -53.35 -55.6 23.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.141 -0.481 . . . . 72.43 110.873 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.775 HD22 HD12 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -83.3 -2.31 55.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 53.23 110.891 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 51.03 51.06 17.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 74.02 110.883 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.502 ' HB3' ' HA ' ' A' ' 33' ' ' ILE . . . -62.23 109.46 1.33 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 71.1 111.09 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -65.86 160.14 23.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 65.32 110.868 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.741 ' O ' HG23 ' A' ' 44' ' ' VAL . 40.2 t -65.73 -56.14 13.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 73.22 110.852 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -57.65 -27.41 62.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 74.12 110.913 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -80.22 -48.48 13.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 72.04 110.856 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.438 HG23 ' HB1' ' A' ' 38' ' ' ALA . 1.4 p -56.54 -25.54 52.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.462 . . . . 74.22 111.139 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.741 HG23 ' O ' ' A' ' 40' ' ' SER . 63.1 t -60.08 -48.59 87.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 72.33 111.071 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -83.12 -34.44 26.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 72.15 110.86 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 89.6 mt -64.28 -56.84 11.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 74.12 110.944 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 63.6 mtm -63.59 -31.23 72.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 74.02 110.907 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.426 ' HE3' HG13 ' A' ' 52' ' ' VAL . 9.0 tpt -52.02 -36.59 50.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 41.1 110.85 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.424 ' HA ' HG22 ' A' ' 52' ' ' VAL . . . -54.78 -30.05 55.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 62.25 111.086 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.715 HD11 ' HB2' ' A' ' 18' ' ' LYS . 43.2 mm -64.55 -23.18 32.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 70.0 111.145 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -82.46 -46.16 13.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 55.43 110.852 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.426 HG13 ' HE3' ' A' ' 48' ' ' MET . 16.5 m -76.2 -18.51 15.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.476 . . . . 71.53 111.146 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -81.29 -54.91 5.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 74.51 110.899 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -80.92 -25.23 37.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 75.13 110.953 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 88.65 27.4 24.62 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 63.12 112.507 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.496 ' CD1' HD11 ' A' ' 58' ' ' ILE . 19.8 pt -125.48 -178.35 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.803 0.335 . . . . 72.11 111.151 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -119.33 137.0 54.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.461 . . . . 72.03 110.878 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.496 HD11 ' CD1' ' A' ' 56' ' ' ILE . 5.0 mp -142.79 95.98 6.19 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.62 0.724 . . . . 64.11 111.141 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 58' ' ' ILE . 54.1 Cg_endo -69.74 163.91 36.5 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.673 2.249 . . . . 73.32 112.375 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.456 ' HA ' ' HB2' ' A' ' 63' ' ' ALA . 1.9 m-20 -50.28 -38.31 40.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.284 -0.417 . . . . 61.44 110.898 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -56.34 -37.89 70.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 73.15 110.867 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -106.04 12.23 30.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 75.4 110.941 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.456 ' HB2' ' HA ' ' A' ' 60' ' ' ASP . . . -68.07 -11.96 59.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 15.44 111.143 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 38.3 p -106.39 -7.69 17.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.199 -0.455 . . . . 65.22 111.148 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 50.8 mmtt -88.1 6.4 36.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 70.33 110.9 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.631 ' O ' HG22 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -144.39 14.3 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 73.05 111.146 179.869 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.15 -50.51 32.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 64.33 110.894 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.766 ' O ' HG23 ' A' ' 72' ' ' VAL . 0.8 OUTLIER -83.55 146.68 28.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 74.34 111.171 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.5 t -53.58 -30.06 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 70.22 111.126 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.0 t -77.95 -32.22 51.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 64.44 110.843 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.15 -23.97 32.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.144 -0.48 . . . . 74.12 110.855 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.766 HG23 ' O ' ' A' ' 68' ' ' THR . 86.7 t -61.11 -65.93 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 73.23 111.078 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.567 ' CD1' HG22 ' A' ' 7' ' ' ILE . 27.0 mm -66.62 -24.13 32.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 53.4 111.15 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.08 -50.78 37.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 71.44 110.866 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -78.87 -55.14 5.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 73.12 110.897 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.507 HD12 ' CG1' ' A' ' 72' ' ' VAL . 60.6 mt -49.79 -28.12 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.48 . . . . 75.32 111.129 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.8 ttpt -53.06 -66.54 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 73.12 110.914 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -68.28 -19.82 64.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 73.23 110.873 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.02 -33.33 65.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 74.32 110.897 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 38.3 mm-40 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 71.32 110.93 -179.949 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' THR . . . . . 1.094 HG23 HD12 ' A' ' 7' ' ' ILE . 3.6 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.788 0.328 . . . . 71.02 111.141 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -100.29 -41.15 7.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 75.41 110.861 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.65 -32.84 73.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 45.43 110.934 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 1.094 HD12 HG23 ' A' ' 4' ' ' THR . 67.7 mt -57.99 -32.93 44.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 70.13 111.136 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.47 ' O ' HG12 ' A' ' 11' ' ' VAL . 4.0 tm-20 -54.52 -49.76 69.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 63.25 110.866 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.623 ' O ' HG22 ' A' ' 12' ' ' ILE . 4.0 tp60 -86.5 -20.08 28.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 63.4 110.933 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.4 ttmm -77.02 -4.94 46.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 54.45 110.917 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.977 HG21 HG13 ' A' ' 69' ' ' VAL . 14.2 p -66.18 -32.09 56.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 74.12 111.159 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.623 HG22 ' O ' ' A' ' 9' ' ' GLN . 4.2 tt -67.88 -37.54 78.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 72.1 111.131 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -73.88 -22.13 59.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 63.41 110.897 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.583 ' CE ' HD13 ' A' ' 50' ' ' ILE . 7.2 tpt -80.77 -62.58 1.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 75.35 110.839 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 57.7 t -56.08 -24.7 18.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.27 -0.423 . . . . 73.2 111.164 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.85 -23.41 61.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 74.45 111.098 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -105.24 -28.91 10.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 74.53 110.926 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.607 ' HB2' HD11 ' A' ' 50' ' ' ILE . 0.7 OUTLIER -55.56 -57.27 12.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.457 . . . . 75.31 110.913 179.927 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.738 HD12 HD23 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -115.61 20.57 14.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 64.54 110.885 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.9 m120 52.63 64.57 1.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 52.24 110.898 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -112.01 125.25 53.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 75.54 110.896 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.677 ' CB ' HD12 ' A' ' 25' ' ' ILE . 1.6 t70 -56.04 147.8 19.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.433 . . . . 73.3 110.885 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.16 -24.3 62.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 65.13 110.88 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.94 0.1 46.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.421 . . . . 73.54 111.08 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.677 HD12 ' CB ' ' A' ' 22' ' ' ASP . 8.6 mt -117.17 -21.96 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 75.5 111.123 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.532 HG21 HG13 ' A' ' 12' ' ' ILE . 49.1 mm -50.46 121.74 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 64.35 111.116 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -148.96 145.62 27.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 71.21 111.098 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.5 t -53.58 -35.91 61.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 74.1 111.163 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -99.77 25.58 7.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 74.11 110.859 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 m -55.56 124.92 18.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 72.51 110.874 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.21 48.73 0.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 75.24 110.897 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -50.14 -33.23 18.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 63.22 110.828 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.472 HD12 ' HB3' ' A' ' 38' ' ' ALA . 5.4 tp -55.47 -43.9 73.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 62.21 111.098 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.431 ' N ' HG23 ' A' ' 33' ' ' ILE . 18.3 tp10 -91.45 -57.25 2.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 54.42 110.883 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -52.96 -55.78 20.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 74.25 110.882 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.738 HD23 HD12 ' A' ' 19' ' ' LEU . 1.4 tp -82.04 -5.23 58.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 44.35 110.89 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.8 mmtm 51.03 62.51 2.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 63.51 110.87 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.472 ' HB3' HD12 ' A' ' 33' ' ' ILE . . . -69.96 110.01 4.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 33.05 111.117 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -51.97 169.45 0.07 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 61.13 110.863 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 50.8 m -76.43 -38.33 55.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 43.01 110.826 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.529 HD12 ' N ' ' A' ' 42' ' ' ASP . 0.3 OUTLIER -81.5 -10.51 59.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 73.3 110.929 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.529 ' N ' HD12 ' A' ' 41' ' ' LEU . 22.1 m-20 -80.74 -46.52 15.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 74.0 110.902 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -53.94 -27.63 32.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 72.35 111.096 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 48.2 t -52.72 -58.39 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.42 . . . . 61.33 111.158 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -81.94 -41.84 20.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 70.11 110.87 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.578 HD13 HD22 ' A' ' 19' ' ' LEU . 68.7 mt -52.08 -57.73 8.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 64.52 110.862 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 35.0 mtm -65.72 -34.73 78.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 74.01 110.832 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 10.9 tpt -55.7 -31.88 62.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 23.54 110.859 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.432 ' HA ' HG22 ' A' ' 52' ' ' VAL . . . -60.16 -18.9 51.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 65.24 111.147 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.607 HD11 ' HB2' ' A' ' 18' ' ' LYS . 41.5 mm -78.53 -23.82 13.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 75.31 111.125 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -83.69 -39.92 19.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 75.53 110.905 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.432 HG22 ' HA ' ' A' ' 49' ' ' ALA . 16.4 m -75.08 -21.58 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 60.13 111.179 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -84.93 -55.08 4.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 72.21 110.894 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -76.49 -24.52 53.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 74.42 110.959 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 70.87 38.25 65.39 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.733 -0.746 . . . . 75.12 112.532 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.494 ' CD1' HD11 ' A' ' 58' ' ' ILE . 14.7 pt -127.8 156.02 39.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.837 0.351 . . . . 74.14 111.151 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -85.07 117.96 24.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 65.23 110.894 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.494 HD11 ' CD1' ' A' ' 56' ' ' ILE . 72.7 mt -138.2 95.42 10.53 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.661 0.743 . . . . 72.35 111.127 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 164.11 35.79 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.655 2.237 . . . . 75.3 112.361 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.464 ' HA ' ' HB2' ' A' ' 63' ' ' ALA . 73.2 m-20 -50.47 -38.69 45.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 61.33 110.826 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -55.48 -36.33 66.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 74.01 110.838 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -106.01 12.11 30.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 64.34 110.873 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.464 ' HB2' ' HA ' ' A' ' 60' ' ' ASP . . . -69.15 -11.06 60.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 52.22 111.112 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 65.3 p -105.15 -9.78 17.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 63.51 111.124 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 26.1 mttt -85.57 4.43 36.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 65.32 110.942 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.496 HG22 ' HB3' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -143.55 14.27 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 73.43 111.103 179.856 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 34.6 tttt -72.16 -45.65 59.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 72.02 110.844 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.505 ' O ' HG12 ' A' ' 72' ' ' VAL . 0.6 OUTLIER -84.68 162.86 19.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 72.43 111.135 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.977 HG13 HG21 ' A' ' 11' ' ' VAL . 58.1 t -66.93 -30.74 50.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 62.14 111.134 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.0 p -82.67 -27.92 30.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 71.53 110.899 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -83.61 -36.68 23.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 73.52 110.89 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.505 HG12 ' O ' ' A' ' 68' ' ' THR . 7.3 p -66.37 -37.93 80.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 74.11 111.146 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.559 ' CD1' HG22 ' A' ' 7' ' ' ILE . 41.8 mm -82.87 -25.85 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 61.5 111.116 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -81.98 -34.58 29.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 75.41 110.902 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.496 ' HB3' HG22 ' A' ' 66' ' ' ILE . 67.7 t80 -82.62 -62.75 1.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 75.34 110.934 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.504 HD12 HG22 ' A' ' 72' ' ' VAL . 60.3 mt -48.2 -32.71 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 72.32 111.112 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt -59.54 -47.99 83.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 75.11 110.931 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -80.1 -22.84 41.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 63.15 110.929 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.14 -46.42 51.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 73.4 110.902 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 44.6 mm-40 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 71.12 110.914 -179.957 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.822 HG23 HD12 ' A' ' 7' ' ' ILE . 96.1 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.785 0.326 . . . . 62.21 111.113 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -53.71 -42.67 68.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 75.04 110.869 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.68 -32.08 65.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 74.55 110.844 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.822 HD12 HG23 ' A' ' 4' ' ' THR . 55.2 mt -60.42 -32.63 51.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 53.24 111.126 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.588 ' HG2' HG21 ' A' ' 73' ' ' ILE . 98.0 mt-10 -56.31 -52.8 63.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 73.32 110.86 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.624 ' O ' HG22 ' A' ' 12' ' ' ILE . 7.0 mm100 -80.43 -22.05 41.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 53.42 110.881 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -75.95 -5.79 47.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 71.4 110.905 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.614 HG21 HG13 ' A' ' 69' ' ' VAL . 7.2 p -64.35 -29.58 47.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 72.2 111.139 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.66 HG13 HG21 ' A' ' 26' ' ' ILE . 4.2 tt -64.67 -39.18 84.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 65.43 111.126 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -78.1 -24.89 47.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 73.52 110.85 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.575 ' CE ' HD13 ' A' ' 50' ' ' ILE . 9.1 tpt -72.56 -62.11 1.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 64.32 110.879 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 94.5 t -56.24 -24.46 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 74.1 111.136 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.426 ' CA ' HD11 ' A' ' 26' ' ' ILE . . . -73.02 -23.57 60.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 70.21 111.102 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -102.84 -32.66 9.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 63.22 110.903 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.673 ' HB2' HD11 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -53.73 -54.06 43.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 64.53 110.922 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.762 HD21 HD13 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -115.76 20.68 14.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 75.24 110.882 179.896 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 43.0 t30 52.23 41.74 30.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 55.22 110.879 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -85.23 126.1 33.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 75.05 110.939 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.648 ' CB ' HD12 ' A' ' 25' ' ' ILE . 4.2 t70 -58.35 150.11 22.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.42 . . . . 43.02 110.899 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.7 ptmm? -58.89 -25.5 63.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 74.11 110.886 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.01 0.69 39.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 63.24 111.101 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.648 HD12 ' CB ' ' A' ' 22' ' ' ASP . 8.5 mt -117.24 -21.68 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 63.03 111.157 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.66 HG21 HG13 ' A' ' 12' ' ' ILE . 34.2 mm -50.44 116.33 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 65.03 111.114 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.7 p -141.77 159.55 41.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 73.54 111.132 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.3 p -64.65 -37.98 89.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.218 -0.446 . . . . 64.25 111.16 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -101.67 29.02 5.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 53.34 110.865 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 90.1 p -51.46 112.0 0.67 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 70.22 110.86 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 30.8 mtt85 -105.67 49.4 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 75.24 110.853 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -49.78 -33.52 16.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 70.2 110.872 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.42 HG23 ' N ' ' A' ' 34' ' ' GLU . 5.3 tp -55.04 -43.9 71.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 64.03 111.132 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.42 ' N ' HG23 ' A' ' 33' ' ' ILE . 11.1 mm-40 -91.27 -57.23 2.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 44.1 110.892 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -52.54 -55.72 20.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 74.44 110.827 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.3 tp -81.13 -7.56 59.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 53.11 110.899 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? 51.16 53.86 12.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 75.01 110.909 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.7 131.9 48.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 60.52 111.11 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -55.88 176.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 43.44 110.9 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 36.9 t -87.37 -40.77 14.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 64.33 110.85 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.544 HD12 ' N ' ' A' ' 42' ' ' ASP . 0.3 OUTLIER -81.59 -11.94 58.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 63.43 110.947 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.544 ' N ' HD12 ' A' ' 41' ' ' LEU . 84.0 m-20 -82.79 -41.7 18.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 74.11 110.901 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.799 ' HA ' HD12 ' A' ' 46' ' ' LEU . 1.9 p -49.83 -53.76 23.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 72.03 111.109 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.449 HG22 ' O ' ' A' ' 41' ' ' LEU . 21.4 m -50.2 -31.44 7.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 72.32 111.147 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -84.49 -38.74 19.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 74.03 110.896 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.799 HD12 ' HA ' ' A' ' 43' ' ' THR . 4.2 mt -66.81 -57.45 7.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 72.23 110.932 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 34.9 mtm -59.16 -31.68 69.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 75.25 110.892 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 10.9 tpt -53.71 -37.03 62.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 74.04 110.868 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.407 ' HA ' HG22 ' A' ' 52' ' ' VAL . . . -57.62 -22.97 48.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 64.42 111.123 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.673 HD11 ' HB2' ' A' ' 18' ' ' LYS . 44.8 mm -71.58 -23.24 22.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 74.02 111.135 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -83.13 -45.56 13.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 73.03 110.872 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.407 HG22 ' HA ' ' A' ' 49' ' ' ALA . 15.8 m -73.64 -17.74 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 54.04 111.149 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -84.65 -55.03 4.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 65.31 110.856 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -77.31 -24.89 50.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 74.43 110.944 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 87.63 24.73 34.95 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.743 -0.741 . . . . 55.32 112.531 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 29.1 pt -120.9 -177.9 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.816 0.341 . . . . 64.41 111.134 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -118.18 140.55 49.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 74.42 110.88 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 60.4 mt -145.51 95.42 4.99 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.627 0.727 . . . . 62.14 111.098 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.86 163.65 37.55 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.671 2.248 . . . . 33.53 112.365 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -51.94 -35.34 45.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 62.11 110.828 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -58.84 -33.1 70.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 74.12 110.905 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -105.54 11.74 32.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 64.23 110.92 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.88 -11.02 60.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 70.25 111.075 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 68.9 p -106.89 15.64 25.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 74.14 111.164 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -119.83 8.58 11.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 54.12 110.928 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.63 ' O ' HG22 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -143.45 13.95 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 73.51 111.111 179.888 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -71.68 -50.6 28.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 72.24 110.849 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.766 ' O ' HG23 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -82.11 146.37 29.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 71.33 111.155 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.614 HG13 HG21 ' A' ' 11' ' ' VAL . 31.2 t -54.32 -27.15 16.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 71.32 111.12 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.5 p -79.82 -33.22 40.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 73.23 110.862 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.17 -22.73 33.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.478 . . . . 42.42 110.867 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.766 HG23 ' O ' ' A' ' 68' ' ' THR . 98.2 t -61.34 -66.44 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 74.24 111.106 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.769 HD12 HG22 ' A' ' 7' ' ' ILE . 35.2 mm -66.83 -24.06 32.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 75.43 111.168 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.7 tmtt? -70.88 -52.92 17.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 73.02 110.857 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -75.66 -55.36 5.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.283 -0.417 . . . . 63.0 110.911 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.485 HD12 ' CG1' ' A' ' 72' ' ' VAL . 68.4 mt -48.77 -29.81 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 72.21 111.131 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 36.0 tttt -58.43 -64.99 0.73 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 72.51 110.922 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -61.89 -23.83 66.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 63.53 110.861 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.11 -43.52 61.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 74.52 110.881 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 74.2 110.899 -179.931 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' THR . . . . . 1.037 HG23 HD12 ' A' ' 7' ' ' ILE . 4.0 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.787 0.327 . . . . 74.12 111.143 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -107.6 -33.47 7.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.445 . . . . 74.35 110.909 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.17 -22.52 60.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 73.3 110.901 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 1.037 HD12 HG23 ' A' ' 4' ' ' THR . 45.3 mt -66.95 -40.09 84.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 74.33 111.125 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.528 ' O ' HG12 ' A' ' 11' ' ' VAL . 6.0 tp10 -58.2 -37.72 75.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 64.32 110.9 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.624 ' O ' HG22 ' A' ' 12' ' ' ILE . 31.6 tt0 -88.93 -21.05 23.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 64.1 110.912 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -82.82 -19.67 37.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 64.2 110.897 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.698 ' HB ' HD11 ' A' ' 73' ' ' ILE . 10.4 p -51.21 -30.49 10.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 65.1 111.108 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.694 HG13 HG21 ' A' ' 26' ' ' ILE . 4.4 tt -70.56 -37.98 71.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 73.25 111.168 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -73.87 -25.29 59.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 75.12 110.904 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.4 tpt -71.64 -62.45 1.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 75.03 110.836 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.403 HG21 HG22 ' A' ' 69' ' ' VAL . 59.2 t -55.61 -24.53 16.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 53.53 111.147 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.15 -25.15 62.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 35.4 111.122 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -105.46 -24.1 12.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 70.34 110.899 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.476 ' HB2' HD11 ' A' ' 50' ' ' ILE . 8.2 tttm -60.23 -57.94 10.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 70.34 110.907 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.666 ' CD2' HD13 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -116.08 20.7 14.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 72.13 110.906 179.915 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 53.52 58.57 5.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 72.25 110.902 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.803 ' HE3' HD22 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -104.5 121.01 42.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 54.22 110.947 179.88 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -55.92 154.99 6.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 75.24 110.879 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.2 ptpp? -58.62 -29.25 66.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 61.42 110.891 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.8 -3.77 52.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 75.21 111.129 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.9 mm -106.11 -26.95 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 65.34 111.147 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.694 HG21 HG13 ' A' ' 12' ' ' ILE . 43.3 mm -49.53 115.52 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 71.23 111.097 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -136.49 148.27 47.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 62.11 111.139 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 72.7 p -56.97 -44.33 82.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 74.21 111.176 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -103.17 28.82 5.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 65.34 110.887 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.7 t -51.88 134.5 31.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 73.54 110.884 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -122.96 49.46 1.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 73.3 110.866 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -49.73 -33.27 15.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 75.35 110.881 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.566 HD12 ' HB3' ' A' ' 38' ' ' ALA . 5.5 tp -56.52 -42.95 76.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 71.51 111.131 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.43 ' N ' HG23 ' A' ' 33' ' ' ILE . 8.8 tm-20 -91.35 -57.28 2.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 61.43 110.856 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -53.9 -55.85 23.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 73.23 110.863 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.803 HD22 ' HE3' ' A' ' 21' ' ' LYS . 2.6 tp -81.72 -4.56 56.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 71.44 110.903 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.1 mmtt 50.93 58.35 5.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 74.42 110.852 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.566 ' HB3' HD12 ' A' ' 33' ' ' ILE . . . -62.07 120.6 11.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 74.14 111.121 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.429 ' O ' HG23 ' A' ' 43' ' ' THR . 0.3 OUTLIER -51.95 157.67 1.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 41.54 110.893 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.0 t -79.72 -36.8 36.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 74.34 110.88 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.601 HD23 ' H ' ' A' ' 41' ' ' LEU . 1.5 pt? -81.34 -26.21 35.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 74.04 110.882 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -82.2 -36.6 27.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 63.55 110.843 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.467 ' HA ' HD12 ' A' ' 46' ' ' LEU . 0.8 OUTLIER -50.92 -51.03 56.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 75.33 111.163 -179.908 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.575 HG12 ' O ' ' A' ' 41' ' ' LEU . 10.9 p -50.1 -31.18 7.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 52.55 111.197 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -84.51 -37.98 20.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.104 -0.498 . . . . 74.51 110.881 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.666 HD13 ' CD2' ' A' ' 19' ' ' LEU . 15.9 mt -66.93 -53.76 28.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 70.13 110.907 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 28.8 mtm -63.59 -31.06 72.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 74.15 110.894 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.544 ' CE ' HG13 ' A' ' 52' ' ' VAL . 10.4 tpt -51.68 -37.74 51.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 63.13 110.891 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.413 ' HA ' HG22 ' A' ' 52' ' ' VAL . . . -54.75 -31.5 58.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 72.25 111.109 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.476 HD11 ' HB2' ' A' ' 18' ' ' LYS . 39.6 mm -64.66 -23.31 33.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 64.24 111.112 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -81.87 -44.41 16.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 74.02 110.902 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.544 HG13 ' CE ' ' A' ' 48' ' ' MET . 15.8 m -78.39 -17.61 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 72.02 111.083 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -85.66 -55.15 4.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 53.24 110.848 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -82.55 -25.32 33.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.198 -0.456 . . . . 74.11 110.899 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 72.1 51.52 13.87 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.706 -0.759 . . . . 63.22 112.523 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 12.8 pt -138.89 -178.31 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.837 0.351 . . . . 71.41 111.125 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -120.3 138.7 53.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 75.05 110.883 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.8 mp -142.05 95.56 6.81 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.636 0.731 . . . . 73.52 111.17 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 163.94 36.46 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.658 2.239 . . . . 74.23 112.349 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.501 ' HA ' ' HB2' ' A' ' 63' ' ' ALA . 0.6 OUTLIER -50.68 -36.52 36.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 52.23 110.85 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -58.51 -36.93 74.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 73.2 110.855 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -105.89 11.85 31.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 61.43 110.908 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.501 ' HB2' ' HA ' ' A' ' 60' ' ' ASP . . . -54.46 -36.38 64.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 63.13 111.059 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.9 t -96.38 17.56 15.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 73.54 111.123 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -100.98 -2.62 31.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 73.13 110.896 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.626 ' O ' HG22 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -143.65 13.85 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 75.13 111.113 179.899 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.6 tmmm? -71.69 -50.3 31.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 61.35 110.878 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.761 ' O ' HG23 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -82.67 146.69 28.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 64.13 111.186 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.49 HG13 ' CG2' ' A' ' 11' ' ' VAL . 49.3 t -54.05 -28.12 17.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.434 . . . . 71.11 111.121 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.52 -32.58 42.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 60.33 110.835 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -83.07 -23.65 33.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 71.25 110.844 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.761 HG23 ' O ' ' A' ' 68' ' ' THR . 91.4 t -60.82 -65.94 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 75.52 111.152 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.698 HD11 ' HB ' ' A' ' 11' ' ' VAL . 28.3 mm -66.87 -24.76 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 73.31 111.105 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.68 -50.9 39.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 71.31 110.901 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.401 ' HB3' HG22 ' A' ' 66' ' ' ILE . 61.6 t80 -78.44 -55.01 5.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.23 -0.441 . . . . 75.04 110.935 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.504 HD12 ' CG1' ' A' ' 72' ' ' VAL . 64.4 mt -50.56 -27.14 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 74.15 111.124 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.9 tttt -50.96 -63.66 1.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 65.15 110.884 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -72.91 -15.68 61.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.286 -0.416 . . . . 63.32 110.886 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.15 -25.48 60.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 62.43 110.894 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 58.6 mm-40 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 44.43 110.947 -179.955 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.7 mmt . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.755 0.312 . . . . 71.43 110.879 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.0 m -127.21 143.71 51.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 62.24 110.815 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.7 p -93.64 -24.38 17.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 73.25 111.124 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.601 HG23 HD12 ' A' ' 7' ' ' ILE . 95.1 m -52.52 -29.12 23.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 65.44 111.171 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -55.57 -36.6 67.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 73.32 110.828 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt -66.98 -21.82 65.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 72.22 110.87 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.601 HD12 HG23 ' A' ' 4' ' ' THR . 38.6 mt -71.18 -37.64 67.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 72.12 111.138 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.431 ' O ' HG12 ' A' ' 11' ' ' VAL . 34.1 tt0 -63.95 -28.49 69.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 74.3 110.902 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.404 ' O ' HG22 ' A' ' 12' ' ' ILE . 89.8 mt-30 -97.88 -20.06 17.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 55.35 110.915 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.9 tmmm? -88.53 -18.65 27.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 75.32 110.883 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.751 ' HB ' HD11 ' A' ' 73' ' ' ILE . 7.6 p -50.85 -37.56 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 71.1 111.137 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.568 HG13 HG21 ' A' ' 26' ' ' ILE . 5.6 tt -51.78 -41.42 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 30.44 111.105 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.4 ' N ' HG23 ' A' ' 12' ' ' ILE . 13.1 tp10 -73.62 -26.43 60.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 62.34 110.859 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.58 ' CE ' HD13 ' A' ' 50' ' ' ILE . 7.5 tpt -72.46 -62.43 1.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 65.3 110.883 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 99.0 t -56.54 -24.35 18.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 72.24 111.126 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.59 -23.46 53.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 64.34 111.134 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -102.5 -20.14 14.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.165 -0.47 . . . . 73.24 110.876 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.767 ' HB2' HD11 ' A' ' 50' ' ' ILE . 0.2 OUTLIER -70.3 -53.49 16.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 73.52 110.891 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -114.87 20.7 14.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.445 . . . . 73.34 110.897 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 34.3 t-20 52.48 47.47 24.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 71.53 110.867 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.607 ' HZ2' HD23 ' A' ' 36' ' ' LEU . 15.1 tptt -93.57 121.04 34.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 73.33 110.882 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.675 ' CB ' HD12 ' A' ' 25' ' ' ILE . 2.1 t70 -54.31 148.41 11.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 64.32 110.859 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.5 ptmt -58.92 -24.88 62.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 71.22 110.861 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.22 0.2 42.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 70.24 111.095 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.675 HD12 ' CB ' ' A' ' 22' ' ' ASP . 8.3 mt -117.05 -22.33 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 63.43 111.093 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.568 HG21 HG13 ' A' ' 12' ' ' ILE . 49.5 mm -50.83 107.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 72.55 111.129 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 34.7 p -128.69 158.57 38.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 72.05 111.146 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 70.2 p -61.43 -39.46 90.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 71.11 111.136 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -101.8 26.9 6.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 71.11 110.867 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.2 t -51.94 104.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 73.03 110.858 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 30.7 mtm180 -96.76 48.79 1.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 61.14 110.873 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.3 p90 -51.18 -31.51 20.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 60.23 110.84 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.461 HD12 ' HB3' ' A' ' 38' ' ' ALA . 5.5 tp -55.94 -42.47 71.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 75.31 111.102 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.415 ' N ' HG23 ' A' ' 33' ' ' ILE . 35.5 mm-40 -91.02 -57.21 2.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 74.2 110.918 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.71 -55.65 21.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 73.11 110.897 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.607 HD23 ' HZ2' ' A' ' 21' ' ' LYS . 0.2 OUTLIER -81.98 -5.78 58.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 74.12 110.935 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.0 mmtm 51.22 56.4 8.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.486 . . . . 71.23 110.886 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.461 ' HB3' HD12 ' A' ' 33' ' ' ILE . . . -62.45 108.71 1.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 61.4 111.066 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -63.48 176.06 0.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 75.2 110.888 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.543 ' O ' HG23 ' A' ' 44' ' ' VAL . 91.4 p -80.76 -51.14 8.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 64.15 110.834 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -58.97 -27.35 65.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 73.52 110.923 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -79.88 -46.08 17.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 54.31 110.798 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -57.8 -23.03 50.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 61.25 111.142 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 40' ' ' SER . 95.0 t -53.13 -54.09 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 73.12 111.12 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -83.67 -43.62 15.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 73.24 110.919 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 81.9 mt -52.24 -51.28 59.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 70.32 110.923 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 39.4 mtm -72.53 -25.95 61.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 63.3 110.903 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 12.5 tpt -66.64 -35.54 80.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 74.5 110.886 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.417 ' HA ' HG22 ' A' ' 52' ' ' VAL . . . -58.55 -21.78 53.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 72.01 111.1 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.767 HD11 ' HB2' ' A' ' 18' ' ' LYS . 41.0 mm -74.6 -23.39 17.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 73.54 111.074 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -83.41 -41.76 17.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 73.11 110.851 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.417 HG22 ' HA ' ' A' ' 49' ' ' ALA . 16.3 m -76.29 -19.85 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 45.01 111.14 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -85.17 -55.08 4.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 75.55 110.892 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -78.43 -25.32 45.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.464 . . . . 74.31 110.944 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 82.69 20.79 60.96 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.741 . . . . 74.52 112.473 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.577 ' CD1' HD11 ' A' ' 58' ' ' ILE . 18.0 pt -118.53 -176.85 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.798 0.332 . . . . 75.33 111.154 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.449 ' C ' HD12 ' A' ' 58' ' ' ILE . 5.4 m-20 -120.74 143.03 49.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 75.2 110.853 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.577 HD11 ' CD1' ' A' ' 56' ' ' ILE . 5.3 mp -143.62 95.38 5.86 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.672 0.748 . . . . 52.45 111.11 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 58' ' ' ILE . 53.6 Cg_endo -69.81 163.62 37.62 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.682 2.255 . . . . 72.21 112.318 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.482 ' HA ' ' HB2' ' A' ' 63' ' ' ALA . 1.2 t70 -51.47 -33.93 33.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 74.41 110.86 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -59.94 -36.37 76.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 44.34 110.931 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -105.99 11.87 31.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 70.41 110.896 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.482 ' HB2' ' HA ' ' A' ' 60' ' ' ASP . . . -58.89 -31.39 68.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 43.11 111.072 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.9 p -98.74 17.03 20.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 71.12 111.131 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.67 1.02 20.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 62.34 110.879 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.476 HD13 ' H ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -143.95 14.25 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 72.11 111.137 179.871 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.11 -45.67 47.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 64.32 110.855 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.528 ' O ' HG12 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -82.67 160.82 22.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 73.43 111.196 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.0 t -65.77 -30.77 51.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 73.45 111.125 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 t -82.96 -28.04 30.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 72.41 110.907 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -83.23 -37.55 23.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.108 -0.496 . . . . 71.4 110.881 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.528 HG12 ' O ' ' A' ' 68' ' ' THR . 7.2 p -64.91 -38.58 83.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 62.14 111.125 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.751 HD11 ' HB ' ' A' ' 11' ' ' VAL . 41.8 mm -82.76 -24.75 8.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 75.32 111.096 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.65 -35.6 29.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 74.11 110.892 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.468 ' HB3' HG22 ' A' ' 66' ' ' ILE . 70.1 t80 -82.61 -62.37 1.63 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.234 -0.439 . . . . 72.44 110.902 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.501 HD12 HG22 ' A' ' 72' ' ' VAL . 60.4 mt -48.3 -31.85 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 52.42 111.164 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -58.26 -60.01 4.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 70.41 110.886 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -69.74 -24.18 63.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 74.13 110.913 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.18 -32.26 64.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 75.5 110.924 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 55.1 mm-40 -64.36 105.77 0.99 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 72.43 110.962 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 18.9 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 71.24 110.859 -179.802 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.8 ptt? . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.754 0.312 . . . . 73.22 110.847 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -65.08 124.43 22.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.279 -0.418 . . . . 53.13 110.82 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.8 p -117.9 75.59 1.01 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 50.24 111.163 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . 1.0 HG23 HD12 ' A' ' 7' ' ' ILE . 98.5 m -60.24 -24.03 64.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 62.04 111.113 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -54.76 -31.75 59.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 72.41 110.834 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.32 -29.92 68.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 70.33 110.896 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 1.0 HD12 HG23 ' A' ' 4' ' ' THR . 56.4 mt -60.43 -40.11 83.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 62.54 111.118 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.502 ' O ' HG12 ' A' ' 11' ' ' VAL . 22.7 tt0 -50.85 -41.07 57.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 61.43 110.925 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.689 ' O ' HG22 ' A' ' 12' ' ' ILE . 13.6 mm100 -90.76 -19.84 23.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 74.42 110.894 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.7 ttpt -74.22 -18.32 60.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 70.52 110.925 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.953 HG21 HG13 ' A' ' 69' ' ' VAL . 7.3 p -51.14 -37.44 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 72.2 111.139 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.689 HG22 ' O ' ' A' ' 9' ' ' GLN . 4.1 tt -59.09 -38.03 71.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 65.23 111.133 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -75.65 -22.09 57.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 62.02 110.88 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.606 ' CE ' HD13 ' A' ' 50' ' ' ILE . 7.6 tpt -82.69 -61.7 1.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 55.23 110.906 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 92.4 t -56.07 -24.5 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 44.32 111.133 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.6 -23.53 58.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 62.34 111.085 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -103.98 -22.95 13.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 74.13 110.853 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.5 ' HB2' HD11 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -65.69 -54.77 22.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 74.43 110.91 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.598 HD22 HD13 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -115.03 20.86 14.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 45.43 110.927 179.878 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 52.19 50.07 19.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 64.24 110.871 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.454 ' NZ ' HG21 ' A' ' 25' ' ' ILE . 0.1 OUTLIER -95.74 123.09 39.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 65.41 110.878 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.669 ' CB ' HD12 ' A' ' 25' ' ' ILE . 4.1 t70 -55.2 147.24 16.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 75.42 110.874 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -59.6 -20.58 56.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 62.45 110.91 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.92 1.57 53.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 54.22 111.103 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.669 HD12 ' CB ' ' A' ' 22' ' ' ASP . 9.7 mt -118.55 -21.15 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 51.2 111.103 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 48.2 mm -49.37 107.04 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 74.12 111.164 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.595 HG23 ' O ' ' A' ' 25' ' ' ILE . 61.1 p -106.92 178.88 4.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 73.22 111.123 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 72.0 p -89.13 -21.08 23.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 73.02 111.093 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -90.18 -23.38 21.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.277 -0.42 . . . . 73.44 110.87 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 48.31 75.33 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 51.55 110.852 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -103.73 30.85 4.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 71.24 110.854 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 10.7 p90 -51.96 -32.4 33.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 72.14 110.917 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.418 HG23 ' N ' ' A' ' 34' ' ' GLU . 5.4 tp -55.92 -42.33 70.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 73.32 111.124 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.418 ' N ' HG23 ' A' ' 33' ' ' ILE . 3.4 tp10 -90.94 -57.01 2.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 74.13 110.891 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -52.68 -55.65 21.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 73.24 110.867 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.77 -10.64 59.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 64.52 110.948 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.9 tmtt? 57.13 46.17 19.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 61.24 110.936 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.98 147.46 52.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 63.24 111.099 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -93.03 173.92 7.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 70.34 110.863 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 53.0 p -80.5 -40.43 26.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 61.22 110.84 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -73.19 -21.76 60.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 54.01 110.92 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -80.79 -39.84 26.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 71.33 110.867 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -56.55 -23.97 43.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.145 -0.48 . . . . 64.43 111.13 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 83.7 t -53.04 -52.44 29.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 55.45 111.134 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -83.59 -44.17 14.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 65.44 110.898 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.598 HD13 HD22 ' A' ' 19' ' ' LEU . 94.1 mt -51.91 -44.45 63.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 74.2 110.901 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 52.7 mtm -78.4 -29.93 47.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 65.55 110.92 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.4 tpt -55.52 -32.08 62.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 73.33 110.861 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.427 ' HA ' HG22 ' A' ' 52' ' ' VAL . . . -61.11 -18.71 59.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 54.33 111.122 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.606 HD13 ' CE ' ' A' ' 14' ' ' MET . 40.2 mm -77.7 -23.65 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 74.05 111.168 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.545 ' OE1' HD12 ' A' ' 58' ' ' ILE . 3.1 mm-40 -83.65 -41.11 18.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 71.32 110.883 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.427 HG22 ' HA ' ' A' ' 49' ' ' ALA . 16.5 m -74.47 -21.83 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 72.14 111.15 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -84.77 -55.26 4.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 75.24 110.839 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -75.19 -25.24 58.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 74.43 110.93 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 74.53 15.71 80.37 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.774 -0.727 . . . . 74.04 112.465 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.409 HD11 HD11 ' A' ' 58' ' ' ILE . 45.0 pt -110.78 -175.52 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.825 0.345 . . . . 73.34 111.113 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -119.01 134.81 54.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 64.24 110.886 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.545 HD12 ' OE1' ' A' ' 51' ' ' GLU . 2.7 mp -137.47 95.75 11.28 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.613 0.72 . . . . 75.3 111.178 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 58' ' ' ILE . 54.3 Cg_endo -69.74 163.85 36.72 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.651 2.234 . . . . 60.51 112.388 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.426 ' HA ' ' HB2' ' A' ' 63' ' ' ALA . 33.3 m-20 -50.41 -40.5 50.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.293 -0.412 . . . . 64.53 110.91 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -54.61 -36.66 64.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 63.43 110.865 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -106.15 11.9 30.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 73.14 110.886 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.426 ' HB2' ' HA ' ' A' ' 60' ' ' ASP . . . -72.04 -15.5 62.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 70.52 111.113 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 70.4 p -106.61 17.59 23.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.211 -0.45 . . . . 52.14 111.142 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.5 mmmt -119.52 7.43 11.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 75.01 110.879 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.474 HD13 ' H ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -143.82 14.28 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 73.14 111.074 179.908 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.31 -44.86 50.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 72.15 110.907 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.522 ' O ' HG12 ' A' ' 72' ' ' VAL . 0.2 OUTLIER -82.84 160.41 22.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 64.55 111.158 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.953 HG13 HG21 ' A' ' 11' ' ' VAL . 98.1 t -65.71 -30.9 51.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 54.52 111.089 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.2 t -83.23 -28.04 29.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 65.1 110.894 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -83.14 -37.2 24.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 54.2 110.85 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.522 HG12 ' O ' ' A' ' 68' ' ' THR . 7.2 p -64.97 -38.27 82.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 62.45 111.089 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.681 HD12 HG22 ' A' ' 7' ' ' ILE . 40.3 mm -83.16 -25.12 8.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 74.42 111.154 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.7 -34.94 30.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 74.33 110.895 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.471 ' HB3' HG22 ' A' ' 66' ' ' ILE . 42.9 t80 -82.86 -62.12 1.69 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 74.21 110.875 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.507 HD12 HG22 ' A' ' 72' ' ' VAL . 64.8 mt -48.22 -37.18 6.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 73.53 111.144 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.1 tttp -51.52 -39.52 57.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 73.54 110.916 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.38 -17.69 26.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 74.21 110.879 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.17 -46.68 49.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 72.24 110.861 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -110.69 -179.32 3.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 73.23 110.855 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.9 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 52.15 110.851 -179.794 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.0 ttp . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.768 0.318 . . . . 51.25 110.851 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.4 m -138.68 140.94 38.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 73.43 110.858 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.3 t -90.96 157.26 17.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.12 -0.491 . . . . 63.2 111.135 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . 1.132 HG23 HD12 ' A' ' 7' ' ' ILE . 4.3 m 63.32 44.33 5.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 72.15 111.128 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -103.96 -41.16 5.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 75.42 110.838 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.8 mmtp -67.09 -31.37 71.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 75.33 110.908 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 1.132 HD12 HG23 ' A' ' 4' ' ' THR . 71.4 mt -56.02 -31.56 31.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 71.01 111.149 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.411 ' O ' HG12 ' A' ' 11' ' ' VAL . 13.9 tt0 -61.35 -66.88 0.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 74.44 110.859 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.636 ' O ' HG22 ' A' ' 12' ' ' ILE . 38.0 tt0 -64.43 -19.98 65.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 72.33 110.913 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.6 ttpp -77.55 -4.61 46.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 75.1 110.904 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.665 HG21 HG13 ' A' ' 69' ' ' VAL . 9.8 p -66.78 -28.63 43.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 53.34 111.123 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.636 HG22 ' O ' ' A' ' 9' ' ' GLN . 4.1 tt -69.58 -38.35 76.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 51.52 111.099 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -76.84 -20.8 55.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.453 . . . . 72.11 110.875 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.578 ' CE ' HD13 ' A' ' 50' ' ' ILE . 8.0 tpt -78.02 -62.61 1.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 72.41 110.852 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 64.8 t -58.42 -24.4 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 72.52 111.116 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.67 -23.25 60.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 71.44 111.131 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -103.54 -33.36 9.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 71.43 110.902 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.747 ' HB2' HD11 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -52.47 -55.28 23.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 73.01 110.931 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.7 ' CD2' HD13 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -115.12 20.6 14.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 73.43 110.929 179.917 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.2 m120 51.49 42.29 29.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 62.45 110.909 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.494 ' HE2' HG21 ' A' ' 25' ' ' ILE . 4.2 tptm -86.13 125.16 33.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 73.42 110.938 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.556 ' CB ' HD12 ' A' ' 25' ' ' ILE . 6.3 t0 -58.57 151.34 20.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 51.12 110.86 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 37.7 mtpt -59.11 -25.19 63.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 72.43 110.865 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.53 -1.13 40.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 74.03 111.125 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.556 HD12 ' CB ' ' A' ' 22' ' ' ASP . 7.6 mt -116.01 -21.92 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 74.14 111.171 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.546 HG21 HG13 ' A' ' 12' ' ' ILE . 37.4 mm -50.99 110.56 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 74.13 111.096 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.8 p -142.95 142.4 31.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 74.33 111.153 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.7 t -55.99 -31.86 63.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 52.52 111.115 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -100.71 25.12 8.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.274 -0.421 . . . . 75.12 110.912 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.7 p -59.57 140.96 55.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.472 . . . . 75.03 110.866 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 59.9 mtm180 -130.01 49.22 2.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 73.21 110.861 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -50.53 -32.53 18.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 51.55 110.905 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.435 HG23 ' N ' ' A' ' 34' ' ' GLU . 5.3 tp -55.65 -43.93 74.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 53.42 111.107 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.435 ' N ' HG23 ' A' ' 33' ' ' ILE . 8.1 tp10 -91.11 -57.23 2.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 71.25 110.843 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -52.67 -55.58 21.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 72.21 110.85 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.551 HD23 HD12 ' A' ' 19' ' ' LEU . 2.2 tp -81.75 -6.22 58.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 73.22 110.92 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? 51.5 55.72 8.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 64.54 110.911 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.96 112.12 3.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 75.13 111.106 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -56.53 175.56 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 72.32 110.866 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.2 t -77.07 -54.94 5.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 54.23 110.89 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -61.36 -24.39 66.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 61.23 110.928 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -81.21 -49.13 11.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 70.45 110.865 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.626 ' HA ' HD12 ' A' ' 46' ' ' LEU . 4.1 p -52.63 -52.24 56.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 75.02 111.121 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.8 m -50.74 -32.68 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 70.14 111.089 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -83.97 -37.13 22.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 72.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.7 HD13 ' CD2' ' A' ' 19' ' ' LEU . 9.4 mt -66.9 -56.33 10.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 64.31 110.932 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 32.8 mtm -61.07 -31.48 71.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 71.41 110.897 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 11.3 tpt -52.41 -40.5 62.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 74.22 110.885 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.408 ' HA ' HG22 ' A' ' 52' ' ' VAL . . . -55.72 -29.6 59.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 62.44 111.093 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.747 HD11 ' HB2' ' A' ' 18' ' ' LYS . 46.0 mm -64.83 -23.14 32.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 74.12 111.143 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.48 ' HG3' HD12 ' A' ' 58' ' ' ILE . 1.0 OUTLIER -82.71 -46.37 13.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 62.43 110.902 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.408 HG22 ' HA ' ' A' ' 49' ' ' ALA . 16.0 m -76.18 -16.45 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 74.11 111.08 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -81.85 -55.06 4.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 62.42 110.897 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -82.16 -25.03 34.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 74.12 110.932 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 87.73 30.5 18.04 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.721 -0.752 . . . . 60.44 112.469 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 17.6 pt -125.2 -178.37 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.795 0.331 . . . . 72.32 111.157 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -121.6 136.57 54.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 64.22 110.831 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.48 HD12 ' HG3' ' A' ' 51' ' ' GLU . 4.4 mp -140.11 95.44 8.45 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.675 0.75 . . . . 61.32 111.161 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 58' ' ' ILE . 53.1 Cg_endo -69.79 163.67 37.42 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.664 2.243 . . . . 64.31 112.297 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.425 ' HA ' ' HB2' ' A' ' 63' ' ' ALA . 40.6 m-20 -51.39 -36.09 41.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 40.01 110.891 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -58.66 -35.99 73.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 74.13 110.843 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -105.93 11.76 31.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 75.43 110.879 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.425 ' HB2' ' HA ' ' A' ' 60' ' ' ASP . . . -68.7 -14.27 62.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 53.24 111.092 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 23.4 p -107.01 17.06 23.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 72.43 111.178 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.0 mmtm -119.11 8.45 11.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 54.05 110.881 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.622 ' O ' HG22 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -144.56 14.15 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 71.41 111.148 179.882 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.4 tttt -73.45 -55.15 6.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 74.24 110.881 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.774 ' O ' HG23 ' A' ' 72' ' ' VAL . 0.8 OUTLIER -74.63 146.49 42.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 65.31 111.154 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.665 HG13 HG21 ' A' ' 11' ' ' VAL . 57.9 t -53.03 -31.47 17.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 64.31 111.143 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.4 t -77.05 -33.04 57.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 75.24 110.885 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -83.19 -22.73 33.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 62.22 110.863 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.774 HG23 ' O ' ' A' ' 68' ' ' THR . 77.3 t -60.44 -66.35 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 62.0 111.154 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.809 HD12 HG22 ' A' ' 7' ' ' ILE . 29.6 mm -66.06 -39.2 83.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 60.4 111.151 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.63 -53.77 50.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 51.31 110.913 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.421 ' HB3' HG22 ' A' ' 66' ' ' ILE . 41.6 t80 -73.49 -55.76 5.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.216 -0.447 . . . . 72.3 110.949 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.506 HD12 ' CG1' ' A' ' 72' ' ' VAL . 86.5 mt -49.78 -28.32 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 74.53 111.141 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 18.4 ttmm -59.71 -66.5 0.5 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 75.11 110.896 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -61.9 -26.48 68.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 71.42 110.842 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.47 -31.3 63.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 70.3 110.869 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -62.62 131.05 47.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 72.21 110.947 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 32.2 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 24.42 110.88 -179.812 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.787 0.327 . . . . 64.04 110.862 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.2 p -126.1 156.43 40.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 71.1 110.876 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.5 t -90.9 168.11 11.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 74.03 111.171 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . 1.06 HG23 HD12 ' A' ' 7' ' ' ILE . 10.9 m 59.12 58.49 3.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 75.35 111.151 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -110.73 -48.81 3.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 75.22 110.861 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.83 -35.47 63.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 61.24 110.9 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 1.06 HD12 HG23 ' A' ' 4' ' ' THR . 63.0 mt -53.89 -33.25 23.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 65.02 111.164 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -54.06 -66.54 0.38 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 74.44 110.904 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.709 ' O ' HG22 ' A' ' 12' ' ' ILE . 9.6 mm-40 -68.85 -23.8 64.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 52.23 110.882 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.9 tmmm? -68.67 -12.94 62.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 65.34 110.902 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.698 HG21 HG13 ' A' ' 69' ' ' VAL . 7.6 p -57.11 -29.67 32.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 75.32 111.111 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.709 HG22 ' O ' ' A' ' 9' ' ' GLN . 4.1 tt -64.96 -38.23 82.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 74.53 111.099 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -76.22 -20.78 57.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 72.23 110.908 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 6.8 tpt -82.21 -61.9 1.77 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 50.23 110.885 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.415 HG21 HG22 ' A' ' 69' ' ' VAL . 94.2 t -52.91 -39.66 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 65.14 111.108 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.68 -23.8 53.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 52.32 111.093 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -105.49 -20.42 13.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 62.34 110.898 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.526 ' HB2' HD11 ' A' ' 50' ' ' ILE . 5.1 ttmt -65.24 -56.64 11.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 74.32 110.907 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.783 HD12 HD23 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -115.83 18.18 15.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 71.21 110.905 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 33.5 t30 56.01 55.7 6.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 75.43 110.899 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.45 121.0 41.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 63.12 110.886 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.683 ' CB ' HD12 ' A' ' 25' ' ' ILE . 5.2 t70 -50.94 145.73 6.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 62.13 110.838 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.6 ptpt -58.82 -24.39 61.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 65.3 110.879 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.74 1.58 38.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 61.11 111.109 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.683 HD12 ' CB ' ' A' ' 22' ' ' ASP . 9.4 mt -118.87 -22.49 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 75.24 111.144 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.552 HG21 HG13 ' A' ' 12' ' ' ILE . 45.4 mm -50.05 117.92 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 74.3 111.136 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 12.0 p -137.55 149.51 46.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.182 -0.463 . . . . 54.1 111.129 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 79.9 p -52.2 -39.82 60.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 44.23 111.149 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -100.98 29.38 4.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 73.52 110.854 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.1 t -49.66 118.39 2.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 65.55 110.865 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 67.8 mtm180 -109.38 50.11 0.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 64.32 110.896 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -48.67 -33.41 9.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 55.41 110.885 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.426 HG23 ' N ' ' A' ' 34' ' ' GLU . 5.4 tp -56.0 -43.58 75.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 75.01 111.125 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.426 ' N ' HG23 ' A' ' 33' ' ' ILE . 38.1 mt-10 -91.04 -56.84 3.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 71.32 110.859 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -53.64 -55.71 23.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 54.23 110.914 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.783 HD23 HD12 ' A' ' 19' ' ' LEU . 2.4 tp -82.47 -3.58 56.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 75.14 110.97 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.8 tptm 51.14 52.35 15.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 65.1 110.939 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.18 114.54 3.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 64.42 111.105 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.419 ' O ' HG23 ' A' ' 43' ' ' THR . 2.8 m-20 -54.95 176.04 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 75.1 110.837 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.9 m -85.95 -40.32 15.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 53.44 110.859 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.446 ' O ' HG12 ' A' ' 44' ' ' VAL . 2.2 pt? -74.8 -27.05 60.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 64.15 110.911 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -82.19 -40.07 22.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 74.31 110.914 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.625 ' HA ' HD12 ' A' ' 46' ' ' LEU . 0.8 OUTLIER -51.37 -54.4 26.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 72.54 111.165 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.446 HG12 ' O ' ' A' ' 41' ' ' LEU . 10.2 p -50.32 -30.57 7.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 53.02 111.167 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -84.15 -40.05 18.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 73.24 110.898 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.632 HD13 ' CD2' ' A' ' 19' ' ' LEU . 6.9 mt -66.09 -56.4 11.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 74.4 110.922 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 33.8 mtm -59.77 -32.92 71.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 51.31 110.913 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.499 ' CE ' HG13 ' A' ' 52' ' ' VAL . 10.2 tpt -52.81 -35.64 57.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 63.05 110.897 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.407 ' HA ' HG22 ' A' ' 52' ' ' VAL . . . -56.75 -33.45 66.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 71.23 111.135 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.526 HD11 ' HB2' ' A' ' 18' ' ' LYS . 38.8 mm -60.91 -23.96 31.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 72.35 111.15 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.463 ' HG2' HD13 ' A' ' 58' ' ' ILE . 9.9 mt-10 -81.66 -50.36 9.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 61.12 110.902 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.499 HG13 ' CE ' ' A' ' 48' ' ' MET . 15.6 m -71.94 -16.17 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 64.32 111.102 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -85.43 -55.04 4.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 72.44 110.942 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -76.78 -25.27 53.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 74.4 110.879 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.77 18.67 59.46 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.738 . . . . 71.54 112.519 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 15.8 pt -113.04 -178.29 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.853 0.359 . . . . 62.35 111.127 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.506 ' C ' HD12 ' A' ' 58' ' ' ILE . 23.6 m-20 -118.34 144.71 45.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 74.35 110.867 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.506 HD12 ' C ' ' A' ' 57' ' ' ASP . 5.3 mp -144.6 95.49 5.36 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.625 0.726 . . . . 73.33 111.108 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 163.68 37.4 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.665 2.243 . . . . 61.25 112.358 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.481 ' HA ' ' HB2' ' A' ' 63' ' ' ALA . 4.4 m-20 -51.43 -36.21 42.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.205 -0.452 . . . . 72.34 110.872 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -58.49 -35.54 72.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 72.51 110.83 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -106.02 11.9 31.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 74.25 110.858 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.481 ' HB2' ' HA ' ' A' ' 60' ' ' ASP . . . -60.99 -27.53 68.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 71.01 111.117 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.4 p -101.18 17.43 22.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 73.12 111.11 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.12 3.42 20.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 51.11 110.885 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.645 ' O ' HG22 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -144.0 14.2 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 72.51 111.123 179.83 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.05 -52.48 16.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 73.25 110.929 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.774 ' O ' HG23 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -79.93 146.47 32.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 73.32 111.163 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.698 HG13 HG21 ' A' ' 11' ' ' VAL . 26.2 t -53.66 -28.44 16.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 73.32 111.154 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.5 p -78.95 -33.51 45.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 70.34 110.831 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -82.85 -22.78 33.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 74.4 110.822 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.774 HG23 ' O ' ' A' ' 68' ' ' THR . 95.5 t -61.28 -66.31 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 70.21 111.089 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.814 HD12 HG22 ' A' ' 7' ' ' ILE . 32.7 mm -67.08 -23.9 31.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 73.14 111.143 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.88 -54.33 16.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 74.34 110.929 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.409 ' HB3' HG22 ' A' ' 66' ' ' ILE . 68.0 t80 -75.54 -54.25 7.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 74.45 110.945 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.499 HD12 ' CG1' ' A' ' 72' ' ' VAL . 70.3 mt -48.89 -28.76 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 45.23 111.166 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 51.9 tttt -61.71 -66.33 0.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 62.03 110.889 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -60.58 -26.87 67.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 61.44 110.873 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.22 -34.62 66.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 73.22 110.853 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 41.3 mm-40 -65.31 145.13 56.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 63.51 110.882 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 64.42 110.866 -179.829 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.1 mtt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.767 0.318 . . . . 64.32 110.875 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -124.35 86.2 2.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 75.03 110.836 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 m -106.42 -43.71 4.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.103 -0.499 . . . . 54.4 111.156 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.957 HG23 HD12 ' A' ' 7' ' ' ILE . 28.6 m -110.46 -23.22 11.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 63.11 111.157 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -51.62 -41.34 61.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 74.41 110.871 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.76 -39.91 74.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 73.21 110.923 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.957 HD12 HG23 ' A' ' 4' ' ' THR . 70.2 mt -54.02 -35.54 28.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 74.23 111.127 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.466 ' O ' HG12 ' A' ' 11' ' ' VAL . 35.6 tt0 -52.67 -53.01 53.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 54.23 110.895 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.632 ' O ' HG22 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -82.16 -20.06 38.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 63.13 110.947 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -78.84 -4.72 50.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 72.22 110.864 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.595 ' HB ' HD11 ' A' ' 73' ' ' ILE . 7.3 p -66.58 -29.66 47.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 70.45 111.115 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.633 HG13 HG21 ' A' ' 26' ' ' ILE . 4.1 tt -71.8 -37.25 61.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 60.33 111.179 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -74.04 -22.94 59.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 73.31 110.917 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.565 ' CE ' HD13 ' A' ' 50' ' ' ILE . 7.8 tpt -74.71 -62.62 1.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 64.44 110.869 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.5 t -53.58 -39.52 37.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 63.22 111.172 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.444 ' HB2' HD11 ' A' ' 26' ' ' ILE . . . -59.22 -23.32 62.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 64.22 111.134 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -103.44 -23.17 13.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 73.35 110.852 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.761 ' HB2' HD11 ' A' ' 50' ' ' ILE . 6.4 tmtm? -61.73 -57.31 12.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 74.44 110.879 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.639 HD22 HD13 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -115.8 20.82 14.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 75.55 110.885 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 54.6 62.8 2.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 65.4 110.887 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.7 126.22 54.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 73.13 110.946 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.548 ' CB ' HD12 ' A' ' 25' ' ' ILE . 6.4 t70 -58.81 151.8 20.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.437 . . . . 64.53 110.896 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.9 -19.3 50.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 74.22 110.86 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.66 1.58 54.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.416 . . . . 73.21 111.098 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.548 HD12 ' CB ' ' A' ' 22' ' ' ASP . 9.3 mt -117.94 -21.36 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 65.2 111.108 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.633 HG21 HG13 ' A' ' 12' ' ' ILE . 33.1 mm -50.69 111.43 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 62.51 111.117 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 12.9 p -115.63 162.02 17.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 62.13 111.159 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 72.4 p -69.98 -28.41 65.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 72.42 111.127 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.469 ' O ' HG22 ' A' ' 68' ' ' THR . 28.0 m-20 -79.84 -22.6 42.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 70.21 110.866 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.477 ' OG ' HG23 ' A' ' 69' ' ' VAL . 1.2 m 52.28 69.21 0.7 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 65.35 110.826 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 50.0 mtp180 -99.46 33.24 2.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.053 -0.521 . . . . 74.22 110.897 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -51.35 -32.55 26.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 71.41 110.858 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.475 HD12 ' HB3' ' A' ' 38' ' ' ALA . 5.4 tp -55.84 -42.87 72.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 65.41 111.091 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.419 ' N ' HG23 ' A' ' 33' ' ' ILE . 57.6 tt0 -91.06 -57.15 2.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 71.43 110.905 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -52.91 -55.63 21.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 64.34 110.885 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.12 -5.24 58.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 72.14 110.893 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp 51.14 56.71 7.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 63.43 110.898 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.475 ' HB3' HD12 ' A' ' 33' ' ' ILE . . . -62.92 156.17 25.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 62.31 111.118 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -100.87 175.81 5.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 73.34 110.837 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.1 t -79.89 -54.63 5.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 73.33 110.888 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -68.36 -22.12 64.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 71.32 110.921 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -76.69 -47.28 22.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 72.13 110.845 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -54.52 -26.16 30.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 74.54 111.1 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 46.8 t -59.5 -48.78 86.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 62.15 111.121 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -83.55 -34.81 25.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 71.52 110.916 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.639 HD13 HD22 ' A' ' 19' ' ' LEU . 89.9 mt -64.0 -57.92 8.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 62.23 110.922 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 37.8 mtm -58.44 -24.03 59.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 63.21 110.868 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.42 ' CE ' HG13 ' A' ' 52' ' ' VAL . 9.6 tpt -71.5 -35.8 70.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.424 . . . . 74.33 110.874 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.427 ' HA ' HG22 ' A' ' 52' ' ' VAL . . . -55.26 -33.75 63.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 72.45 111.1 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.761 HD11 ' HB2' ' A' ' 18' ' ' LYS . 38.0 mm -61.84 -23.44 31.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 70.42 111.097 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -81.89 -48.02 12.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 62.32 110.856 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.427 HG22 ' HA ' ' A' ' 49' ' ' ALA . 16.0 m -74.43 -16.98 16.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 62.53 111.126 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -82.2 -55.14 4.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 71.44 110.879 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.434 ' CE1' HG23 ' A' ' 7' ' ' ILE . 4.5 m-85 -80.08 -25.13 40.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 73.34 110.929 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 89.4 29.87 15.53 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.71 -0.757 . . . . 65.42 112.482 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.638 ' CD1' HD11 ' A' ' 58' ' ' ILE . 16.7 pt -132.05 -177.75 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.817 0.341 . . . . 70.41 111.098 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -122.61 139.39 53.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 63.42 110.84 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.666 HG21 ' CD1' ' A' ' 66' ' ' ILE . 4.7 mp -141.14 95.43 7.48 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.654 0.74 . . . . 74.31 111.162 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 58' ' ' ILE . 53.9 Cg_endo -69.7 163.7 37.23 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.7 2.267 . . . . 72.43 112.347 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.422 ' HA ' ' HB2' ' A' ' 63' ' ' ALA . 8.0 m-20 -51.59 -30.79 22.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 65.52 110.825 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -63.54 -37.12 86.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.472 . . . . 74.13 110.897 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -105.15 11.9 32.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 75.05 110.884 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.422 ' HB2' ' HA ' ' A' ' 60' ' ' ASP . . . -57.81 -22.71 48.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 72.12 111.147 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 16.9 p -96.15 -8.28 33.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 62.41 111.138 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.82 -7.55 59.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 53.24 110.87 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.666 ' CD1' HG21 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -144.04 15.44 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 74.23 111.159 179.862 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.1 tttm -70.32 -45.91 65.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 72.5 110.909 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.773 ' O ' HG23 ' A' ' 72' ' ' VAL . 0.4 OUTLIER -89.57 146.41 24.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 71.22 111.149 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.479 HG13 ' CG2' ' A' ' 11' ' ' VAL . 93.4 t -54.31 -26.18 15.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 62.32 111.129 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.8 t -79.96 -34.7 38.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 64.54 110.875 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -83.07 -22.48 33.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 74.25 110.867 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.773 HG23 ' O ' ' A' ' 68' ' ' THR . 80.6 t -60.24 -65.97 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 73.03 111.123 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.784 HD12 HG22 ' A' ' 7' ' ' ILE . 25.2 mm -68.28 -24.78 30.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.464 . . . . 55.13 111.114 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? -70.43 -46.56 63.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 70.01 110.88 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -82.48 -56.28 3.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 71.24 110.911 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.466 HD12 ' CG1' ' A' ' 72' ' ' VAL . 64.7 mt -48.07 -31.39 2.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 73.21 111.129 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.2 tttt -51.91 -66.91 0.3 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 73.33 110.922 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -67.67 -20.4 65.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.439 . . . . 73.54 110.884 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.14 -28.39 62.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 72.4 110.859 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -62.81 124.07 20.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 71.2 110.906 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 43.2 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 70.01 110.839 -179.823 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.755 0.312 . . . . 73.05 110.893 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.4 t -101.91 -51.69 3.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 71.14 110.848 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.5 p -71.79 145.8 48.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.486 . . . . 73.54 111.176 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . 1.098 HG23 HD12 ' A' ' 7' ' ' ILE . 40.0 m -77.02 90.13 3.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 75.04 111.109 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -136.03 -54.0 0.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 73.54 110.861 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -56.46 -25.57 51.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 72.44 110.903 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 1.098 HD12 HG23 ' A' ' 4' ' ' THR . 45.2 mt -60.87 -31.84 50.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 70.32 111.125 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -58.01 -38.75 76.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 74.13 110.894 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.714 ' O ' HG22 ' A' ' 12' ' ' ILE . 9.9 mt-30 -91.97 -28.56 17.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 73.04 110.875 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.1 ttmt -65.11 -17.55 64.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 64.11 110.897 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.731 HG21 HG13 ' A' ' 69' ' ' VAL . 10.8 p -51.41 -30.22 10.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 75.2 111.116 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.714 HG22 ' O ' ' A' ' 9' ' ' GLN . 4.5 tt -64.93 -38.69 83.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 63.14 111.095 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -74.3 -22.77 59.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 73.13 110.893 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.602 ' CE ' HD13 ' A' ' 50' ' ' ILE . 8.2 tpt -81.08 -62.12 1.76 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 64.1 110.859 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.536 HG21 HG22 ' A' ' 69' ' ' VAL . 57.8 t -56.42 -24.51 18.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 65.35 111.136 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.81 -23.28 55.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 74.33 111.098 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -104.25 -17.25 14.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 72.45 110.875 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.756 ' HB2' HD11 ' A' ' 50' ' ' ILE . 0.7 OUTLIER -68.76 -57.84 5.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 65.13 110.925 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.714 HD21 HD13 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -115.96 20.73 14.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.283 -0.417 . . . . 65.32 110.925 179.891 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 54.9 52.83 11.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 64.32 110.894 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.39 120.96 39.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 74.24 110.904 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.491 ' HB3' HD12 ' A' ' 25' ' ' ILE . 0.7 OUTLIER -62.81 154.42 29.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 70.13 110.899 179.892 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.4 ptmm? -57.72 -22.94 49.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 74.21 110.934 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.88 -6.34 52.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 60.53 111.098 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.491 HD12 ' HB3' ' A' ' 22' ' ' ASP . 4.5 mp -117.13 -23.19 4.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 62.41 111.152 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.684 HG21 HG13 ' A' ' 12' ' ' ILE . 43.9 mm -49.88 104.33 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.476 . . . . 74.11 111.076 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.404 HG23 ' O ' ' A' ' 25' ' ' ILE . 37.2 p -129.44 148.49 51.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 54.31 111.192 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 48.5 p -55.17 -25.96 35.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.432 . . . . 63.54 111.144 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -118.47 28.9 8.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 73.11 110.898 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.76 108.44 0.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 65.22 110.849 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 -102.21 49.23 0.86 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 74.41 110.864 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -50.83 -31.88 18.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 73.34 110.889 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.416 HG23 ' N ' ' A' ' 34' ' ' GLU . 5.5 tp -55.87 -42.23 69.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 72.24 111.104 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.416 ' N ' HG23 ' A' ' 33' ' ' ILE . 10.8 mt-10 -90.82 -57.19 2.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 70.55 110.886 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -52.45 -55.56 21.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 62.4 110.907 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.618 ' O ' HD23 ' A' ' 36' ' ' LEU . 1.3 tt -81.79 -6.55 59.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 74.21 110.898 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp 50.93 54.5 11.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 72.32 110.881 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.03 126.88 28.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 62.23 111.127 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -55.51 176.07 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 54.13 110.895 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.8 t -98.28 -26.63 14.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 43.01 110.889 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.622 ' O ' HG22 ' A' ' 44' ' ' VAL . 2.1 pt? -80.89 -30.15 35.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 75.14 110.949 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -81.86 -34.53 30.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.483 . . . . 55.24 110.883 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.755 ' HA ' HD12 ' A' ' 46' ' ' LEU . 0.7 OUTLIER -50.87 -48.98 60.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 73.44 111.161 -179.839 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.622 HG22 ' O ' ' A' ' 41' ' ' LEU . 17.7 m -50.02 -31.71 7.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 75.52 111.133 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -84.61 -41.44 16.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.136 -0.484 . . . . 73.51 110.87 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.755 HD12 ' HA ' ' A' ' 43' ' ' THR . 3.5 mt -62.91 -53.64 51.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.466 . . . . 75.33 110.939 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 29.4 mtm -62.05 -35.3 78.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 74.14 110.868 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.55 ' CE ' HG13 ' A' ' 52' ' ' VAL . 9.8 tpt -52.1 -41.57 62.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 72.24 110.884 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.17 -34.26 60.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 53.31 111.139 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.756 HD11 ' HB2' ' A' ' 18' ' ' LYS . 42.1 mm -62.73 -23.26 32.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 74.43 111.088 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.691 ' OE1' HD13 ' A' ' 58' ' ' ILE . 3.0 mm-40 -81.65 -45.21 16.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 71.32 110.919 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.55 HG13 ' CE ' ' A' ' 48' ' ' MET . 15.4 m -77.6 -16.07 14.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 72.1 111.136 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -84.48 -55.08 4.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 65.1 110.9 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -82.8 -25.13 33.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 72.23 110.896 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 73.69 38.04 51.11 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.773 -0.727 . . . . 71.12 112.493 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.599 ' CD1' HD11 ' A' ' 58' ' ' ILE . 11.2 pt -120.33 179.68 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.878 0.37 . . . . 75.13 111.082 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.509 ' C ' HD12 ' A' ' 58' ' ' ILE . 22.6 t0 -115.33 135.03 54.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 51.04 110.853 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.691 HD13 ' OE1' ' A' ' 51' ' ' GLU . 5.3 mp -144.88 95.52 5.22 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.631 0.729 . . . . 74.33 111.118 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 163.71 37.28 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.677 2.252 . . . . 63.52 112.357 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.477 ' HA ' ' HB2' ' A' ' 63' ' ' ALA . 43.6 t0 -51.4 -33.93 32.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 64.24 110.901 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -60.53 -36.37 78.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 73.35 110.846 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -106.07 11.85 31.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 75.13 110.898 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.477 ' HB2' ' HA ' ' A' ' 60' ' ' ASP . . . -59.39 -22.14 60.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 62.03 111.079 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 10.2 t -106.82 13.12 28.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 52.12 111.14 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -103.42 2.93 34.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 72.41 110.891 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.585 ' O ' HG22 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -143.7 13.27 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 74.23 111.173 179.886 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.1 ttpt -72.32 -53.37 12.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 71.41 110.896 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.764 ' O ' HG23 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -78.77 146.89 33.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 70.23 111.153 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.731 HG13 HG21 ' A' ' 11' ' ' VAL . 27.7 t -55.1 -27.01 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 52.23 111.142 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 27.2 t -77.48 -36.23 52.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 72.24 110.857 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.86 -21.73 34.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 71.25 110.869 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.764 HG23 ' O ' ' A' ' 68' ' ' THR . 75.5 t -60.61 -66.13 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 53.55 111.138 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.769 HD12 HG22 ' A' ' 7' ' ' ILE . 46.9 mm -68.58 -24.52 29.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 65.1 111.126 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.95 -46.74 61.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 71.2 110.932 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.402 ' HB3' HG22 ' A' ' 66' ' ' ILE . 55.6 t80 -80.26 -57.47 3.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 75.42 110.897 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 53.3 mt -50.44 -25.96 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 72.11 111.17 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.3 ttpt -50.07 -61.64 2.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 73.45 110.874 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -76.38 -16.24 59.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 55.31 110.9 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.14 -36.57 66.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 55.12 110.862 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -62.37 135.26 57.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 72.45 110.919 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.6 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 73.44 110.873 -179.847 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.3 ptm . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.825 0.345 . . . . 72.25 110.862 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.3 p -107.83 79.46 1.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 65.01 110.861 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.5 p -115.98 136.02 53.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 53.21 111.154 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.767 HG23 HD12 ' A' ' 7' ' ' ILE . 5.8 m 57.28 49.11 13.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 75.5 111.112 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -117.91 -34.89 4.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.44 . . . . 70.43 110.836 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -80.37 -14.63 58.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 73.25 110.935 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.767 HD12 HG23 ' A' ' 4' ' ' THR . 17.8 mt -72.0 -29.98 35.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 73.44 111.147 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.601 ' O ' HG12 ' A' ' 11' ' ' VAL . 18.6 tt0 -66.35 -39.41 89.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 74.11 110.875 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.552 ' O ' HG22 ' A' ' 12' ' ' ILE . 23.1 tt0 -88.87 -19.91 25.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 73.24 110.926 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -87.18 -22.1 25.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 74.03 110.924 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.601 HG12 ' O ' ' A' ' 8' ' ' GLU . 7.8 p -54.03 -29.95 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 74.41 111.173 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.704 HG13 HG21 ' A' ' 26' ' ' ILE . 4.6 tt -56.09 -40.38 63.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.486 . . . . 74.34 111.162 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -77.88 -24.36 48.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.149 -0.478 . . . . 73.11 110.898 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.61 ' CE ' HD13 ' A' ' 50' ' ' ILE . 8.0 tpt -71.63 -62.39 1.43 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 74.23 110.928 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 97.6 t -56.72 -24.17 18.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.461 . . . . 73.44 111.137 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.428 ' HB2' HD11 ' A' ' 26' ' ' ILE . . . -76.03 -23.56 55.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 73.43 111.083 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -104.1 -17.39 14.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 43.51 110.879 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.715 ' HB2' HD11 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -69.18 -57.46 5.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 73.44 110.895 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.775 HD12 HD22 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -115.84 20.66 14.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 63.51 110.908 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 55.4 62.94 2.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 73.03 110.907 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.36 120.81 43.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 63.43 110.88 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -56.8 155.39 7.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 73.34 110.83 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -55.75 -33.56 64.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 71.14 110.923 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.89 -19.27 61.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 73.21 111.079 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.604 ' O ' HG22 ' A' ' 27' ' ' THR . 13.2 mm -92.43 -26.87 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 52.11 111.124 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.704 HG21 HG13 ' A' ' 12' ' ' ILE . 45.8 mm -51.0 116.45 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 74.12 111.152 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.604 HG22 ' O ' ' A' ' 25' ' ' ILE . 1.7 t -153.17 158.44 41.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 63.42 111.173 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.0 t -71.27 -11.26 60.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 35.04 111.134 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -117.03 22.72 12.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 61.11 110.845 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.429 ' N ' HG23 ' A' ' 27' ' ' THR . 1.2 p -56.92 129.46 41.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 70.51 110.844 -179.752 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -120.74 47.41 1.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.495 . . . . 72.42 110.885 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -49.94 -32.97 16.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 71.34 110.903 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.502 ' HA ' ' HB3' ' A' ' 38' ' ' ALA . 5.4 tp -56.01 -43.95 76.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 72.01 111.116 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.427 ' N ' HG23 ' A' ' 33' ' ' ILE . 7.3 tp10 -91.25 -57.2 2.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 75.14 110.92 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -53.35 -55.6 23.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.141 -0.481 . . . . 72.43 110.873 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.775 HD22 HD12 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -83.3 -2.31 55.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 53.23 110.891 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 51.03 51.06 17.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 74.02 110.883 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.502 ' HB3' ' HA ' ' A' ' 33' ' ' ILE . . . -62.23 109.46 1.33 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 71.1 111.09 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -65.86 160.14 23.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 65.32 110.868 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.741 ' O ' HG23 ' A' ' 44' ' ' VAL . 40.2 t -65.73 -56.14 13.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 73.22 110.852 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -57.65 -27.41 62.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 74.12 110.913 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -80.22 -48.48 13.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 72.04 110.856 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.438 HG23 ' HB1' ' A' ' 38' ' ' ALA . 1.4 p -56.54 -25.54 52.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.462 . . . . 74.22 111.139 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.741 HG23 ' O ' ' A' ' 40' ' ' SER . 63.1 t -60.08 -48.59 87.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 72.33 111.071 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -83.12 -34.44 26.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 72.15 110.86 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 89.6 mt -64.28 -56.84 11.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 74.12 110.944 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 63.6 mtm -63.59 -31.23 72.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 74.02 110.907 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.426 ' HE3' HG13 ' A' ' 52' ' ' VAL . 9.0 tpt -52.02 -36.59 50.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 41.1 110.85 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.424 ' HA ' HG22 ' A' ' 52' ' ' VAL . . . -54.78 -30.05 55.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 62.25 111.086 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.715 HD11 ' HB2' ' A' ' 18' ' ' LYS . 43.2 mm -64.55 -23.18 32.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 70.0 111.145 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -82.46 -46.16 13.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 55.43 110.852 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.426 HG13 ' HE3' ' A' ' 48' ' ' MET . 16.5 m -76.2 -18.51 15.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.476 . . . . 71.53 111.146 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -81.29 -54.91 5.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 74.51 110.899 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -80.92 -25.23 37.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 75.13 110.953 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 88.65 27.4 24.62 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 63.12 112.507 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.496 ' CD1' HD11 ' A' ' 58' ' ' ILE . 19.8 pt -125.48 -178.35 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.803 0.335 . . . . 72.11 111.151 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -119.33 137.0 54.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.461 . . . . 72.03 110.878 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.496 HD11 ' CD1' ' A' ' 56' ' ' ILE . 5.0 mp -142.79 95.98 6.19 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.62 0.724 . . . . 64.11 111.141 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 58' ' ' ILE . 54.1 Cg_endo -69.74 163.91 36.5 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.673 2.249 . . . . 73.32 112.375 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.456 ' HA ' ' HB2' ' A' ' 63' ' ' ALA . 1.9 m-20 -50.28 -38.31 40.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.284 -0.417 . . . . 61.44 110.898 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -56.34 -37.89 70.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 73.15 110.867 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -106.04 12.23 30.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 75.4 110.941 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.456 ' HB2' ' HA ' ' A' ' 60' ' ' ASP . . . -68.07 -11.96 59.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 15.44 111.143 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 38.3 p -106.39 -7.69 17.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.199 -0.455 . . . . 65.22 111.148 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 50.8 mmtt -88.1 6.4 36.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 70.33 110.9 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.631 ' O ' HG22 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -144.39 14.3 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 73.05 111.146 179.869 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.15 -50.51 32.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 64.33 110.894 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.766 ' O ' HG23 ' A' ' 72' ' ' VAL . 0.8 OUTLIER -83.55 146.68 28.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 74.34 111.171 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.5 t -53.58 -30.06 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 70.22 111.126 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.0 t -77.95 -32.22 51.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 64.44 110.843 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.15 -23.97 32.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.144 -0.48 . . . . 74.12 110.855 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.766 HG23 ' O ' ' A' ' 68' ' ' THR . 86.7 t -61.11 -65.93 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 73.23 111.078 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.567 ' CD1' HG22 ' A' ' 7' ' ' ILE . 27.0 mm -66.62 -24.13 32.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 53.4 111.15 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.08 -50.78 37.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 71.44 110.866 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -78.87 -55.14 5.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 73.12 110.897 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.507 HD12 ' CG1' ' A' ' 72' ' ' VAL . 60.6 mt -49.79 -28.12 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.48 . . . . 75.32 111.129 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.8 ttpt -53.06 -66.54 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 73.12 110.914 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -68.28 -19.82 64.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 73.23 110.873 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.02 -33.33 65.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 74.32 110.897 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 38.3 mm-40 -62.56 129.03 38.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 71.32 110.93 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.4 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 64.11 110.841 -179.797 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.82 0.343 . . . . 75.54 110.837 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 p -122.03 148.62 44.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 61.44 110.906 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.8 t -124.1 31.33 5.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 73.02 111.159 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . 1.094 HG23 HD12 ' A' ' 7' ' ' ILE . 3.6 m 59.15 40.5 21.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 71.02 111.141 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -100.29 -41.15 7.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 75.41 110.861 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.65 -32.84 73.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 45.43 110.934 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 1.094 HD12 HG23 ' A' ' 4' ' ' THR . 67.7 mt -57.99 -32.93 44.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 70.13 111.136 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.47 ' O ' HG12 ' A' ' 11' ' ' VAL . 4.0 tm-20 -54.52 -49.76 69.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 63.25 110.866 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.623 ' O ' HG22 ' A' ' 12' ' ' ILE . 4.0 tp60 -86.5 -20.08 28.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 63.4 110.933 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.4 ttmm -77.02 -4.94 46.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 54.45 110.917 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.977 HG21 HG13 ' A' ' 69' ' ' VAL . 14.2 p -66.18 -32.09 56.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 74.12 111.159 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.623 HG22 ' O ' ' A' ' 9' ' ' GLN . 4.2 tt -67.88 -37.54 78.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 72.1 111.131 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -73.88 -22.13 59.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 63.41 110.897 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.583 ' CE ' HD13 ' A' ' 50' ' ' ILE . 7.2 tpt -80.77 -62.58 1.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 75.35 110.839 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 57.7 t -56.08 -24.7 18.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.27 -0.423 . . . . 73.2 111.164 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.85 -23.41 61.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 74.45 111.098 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -105.24 -28.91 10.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 74.53 110.926 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.607 ' HB2' HD11 ' A' ' 50' ' ' ILE . 0.7 OUTLIER -55.56 -57.27 12.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.457 . . . . 75.31 110.913 179.927 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.738 HD12 HD23 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -115.61 20.57 14.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 64.54 110.885 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.9 m120 52.63 64.57 1.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 52.24 110.898 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -112.01 125.25 53.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 75.54 110.896 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.677 ' CB ' HD12 ' A' ' 25' ' ' ILE . 1.6 t70 -56.04 147.8 19.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.433 . . . . 73.3 110.885 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.16 -24.3 62.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 65.13 110.88 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.94 0.1 46.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.421 . . . . 73.54 111.08 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.677 HD12 ' CB ' ' A' ' 22' ' ' ASP . 8.6 mt -117.17 -21.96 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 75.5 111.123 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.532 HG21 HG13 ' A' ' 12' ' ' ILE . 49.1 mm -50.46 121.74 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 64.35 111.116 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -148.96 145.62 27.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 71.21 111.098 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.5 t -53.58 -35.91 61.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 74.1 111.163 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -99.77 25.58 7.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 74.11 110.859 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 m -55.56 124.92 18.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 72.51 110.874 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.21 48.73 0.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 75.24 110.897 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -50.14 -33.23 18.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 63.22 110.828 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.472 HD12 ' HB3' ' A' ' 38' ' ' ALA . 5.4 tp -55.47 -43.9 73.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 62.21 111.098 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.431 ' N ' HG23 ' A' ' 33' ' ' ILE . 18.3 tp10 -91.45 -57.25 2.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 54.42 110.883 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -52.96 -55.78 20.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 74.25 110.882 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.738 HD23 HD12 ' A' ' 19' ' ' LEU . 1.4 tp -82.04 -5.23 58.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 44.35 110.89 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.8 mmtm 51.03 62.51 2.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 63.51 110.87 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.472 ' HB3' HD12 ' A' ' 33' ' ' ILE . . . -69.96 110.01 4.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 33.05 111.117 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -51.97 169.45 0.07 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 61.13 110.863 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 50.8 m -76.43 -38.33 55.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 43.01 110.826 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.529 HD12 ' N ' ' A' ' 42' ' ' ASP . 0.3 OUTLIER -81.5 -10.51 59.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 73.3 110.929 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.529 ' N ' HD12 ' A' ' 41' ' ' LEU . 22.1 m-20 -80.74 -46.52 15.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 74.0 110.902 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -53.94 -27.63 32.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 72.35 111.096 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 48.2 t -52.72 -58.39 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.42 . . . . 61.33 111.158 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -81.94 -41.84 20.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 70.11 110.87 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.578 HD13 HD22 ' A' ' 19' ' ' LEU . 68.7 mt -52.08 -57.73 8.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 64.52 110.862 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 35.0 mtm -65.72 -34.73 78.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 74.01 110.832 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 10.9 tpt -55.7 -31.88 62.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 23.54 110.859 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.432 ' HA ' HG22 ' A' ' 52' ' ' VAL . . . -60.16 -18.9 51.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 65.24 111.147 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.607 HD11 ' HB2' ' A' ' 18' ' ' LYS . 41.5 mm -78.53 -23.82 13.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 75.31 111.125 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -83.69 -39.92 19.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 75.53 110.905 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.432 HG22 ' HA ' ' A' ' 49' ' ' ALA . 16.4 m -75.08 -21.58 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 60.13 111.179 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -84.93 -55.08 4.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 72.21 110.894 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -76.49 -24.52 53.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 74.42 110.959 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 70.87 38.25 65.39 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.733 -0.746 . . . . 75.12 112.532 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.494 ' CD1' HD11 ' A' ' 58' ' ' ILE . 14.7 pt -127.8 156.02 39.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.837 0.351 . . . . 74.14 111.151 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -85.07 117.96 24.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 65.23 110.894 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.494 HD11 ' CD1' ' A' ' 56' ' ' ILE . 72.7 mt -138.2 95.42 10.53 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.661 0.743 . . . . 72.35 111.127 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 164.11 35.79 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.655 2.237 . . . . 75.3 112.361 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.464 ' HA ' ' HB2' ' A' ' 63' ' ' ALA . 73.2 m-20 -50.47 -38.69 45.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 61.33 110.826 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -55.48 -36.33 66.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 74.01 110.838 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -106.01 12.11 30.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 64.34 110.873 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.464 ' HB2' ' HA ' ' A' ' 60' ' ' ASP . . . -69.15 -11.06 60.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 52.22 111.112 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 65.3 p -105.15 -9.78 17.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 63.51 111.124 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 26.1 mttt -85.57 4.43 36.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 65.32 110.942 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.496 HG22 ' HB3' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -143.55 14.27 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 73.43 111.103 179.856 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 34.6 tttt -72.16 -45.65 59.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 72.02 110.844 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.505 ' O ' HG12 ' A' ' 72' ' ' VAL . 0.6 OUTLIER -84.68 162.86 19.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 72.43 111.135 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.977 HG13 HG21 ' A' ' 11' ' ' VAL . 58.1 t -66.93 -30.74 50.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 62.14 111.134 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.0 p -82.67 -27.92 30.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 71.53 110.899 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -83.61 -36.68 23.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 73.52 110.89 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.505 HG12 ' O ' ' A' ' 68' ' ' THR . 7.3 p -66.37 -37.93 80.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 74.11 111.146 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.559 ' CD1' HG22 ' A' ' 7' ' ' ILE . 41.8 mm -82.87 -25.85 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 61.5 111.116 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -81.98 -34.58 29.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 75.41 110.902 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.496 ' HB3' HG22 ' A' ' 66' ' ' ILE . 67.7 t80 -82.62 -62.75 1.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 75.34 110.934 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.504 HD12 HG22 ' A' ' 72' ' ' VAL . 60.3 mt -48.2 -32.71 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 72.32 111.112 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt -59.54 -47.99 83.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 75.11 110.931 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -80.1 -22.84 41.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 63.15 110.929 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.14 -46.42 51.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 73.4 110.902 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 44.6 mm-40 -53.13 160.32 1.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 71.12 110.914 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.6 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 73.44 110.888 -179.821 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 mmt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.792 0.329 . . . . 53.41 110.866 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t 60.36 30.97 20.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 74.42 110.835 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.2 t -123.12 167.45 13.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 64.31 111.117 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.822 HG23 HD12 ' A' ' 7' ' ' ILE . 96.1 m -113.37 -25.84 8.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 62.21 111.113 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -53.71 -42.67 68.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 75.04 110.869 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.68 -32.08 65.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 74.55 110.844 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.822 HD12 HG23 ' A' ' 4' ' ' THR . 55.2 mt -60.42 -32.63 51.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 53.24 111.126 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.588 ' HG2' HG21 ' A' ' 73' ' ' ILE . 98.0 mt-10 -56.31 -52.8 63.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 73.32 110.86 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.624 ' O ' HG22 ' A' ' 12' ' ' ILE . 7.0 mm100 -80.43 -22.05 41.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 53.42 110.881 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -75.95 -5.79 47.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 71.4 110.905 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.614 HG21 HG13 ' A' ' 69' ' ' VAL . 7.2 p -64.35 -29.58 47.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 72.2 111.139 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.66 HG13 HG21 ' A' ' 26' ' ' ILE . 4.2 tt -64.67 -39.18 84.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 65.43 111.126 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -78.1 -24.89 47.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 73.52 110.85 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.575 ' CE ' HD13 ' A' ' 50' ' ' ILE . 9.1 tpt -72.56 -62.11 1.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 64.32 110.879 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 94.5 t -56.24 -24.46 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 74.1 111.136 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.426 ' CA ' HD11 ' A' ' 26' ' ' ILE . . . -73.02 -23.57 60.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 70.21 111.102 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -102.84 -32.66 9.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 63.22 110.903 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.673 ' HB2' HD11 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -53.73 -54.06 43.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 64.53 110.922 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.762 HD21 HD13 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -115.76 20.68 14.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 75.24 110.882 179.896 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 43.0 t30 52.23 41.74 30.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 55.22 110.879 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -85.23 126.1 33.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 75.05 110.939 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.648 ' CB ' HD12 ' A' ' 25' ' ' ILE . 4.2 t70 -58.35 150.11 22.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.42 . . . . 43.02 110.899 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.7 ptmm? -58.89 -25.5 63.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 74.11 110.886 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.01 0.69 39.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 63.24 111.101 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.648 HD12 ' CB ' ' A' ' 22' ' ' ASP . 8.5 mt -117.24 -21.68 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 63.03 111.157 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.66 HG21 HG13 ' A' ' 12' ' ' ILE . 34.2 mm -50.44 116.33 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 65.03 111.114 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.7 p -141.77 159.55 41.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 73.54 111.132 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.3 p -64.65 -37.98 89.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.218 -0.446 . . . . 64.25 111.16 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -101.67 29.02 5.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 53.34 110.865 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 90.1 p -51.46 112.0 0.67 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 70.22 110.86 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 30.8 mtt85 -105.67 49.4 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 75.24 110.853 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -49.78 -33.52 16.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 70.2 110.872 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.42 HG23 ' N ' ' A' ' 34' ' ' GLU . 5.3 tp -55.04 -43.9 71.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 64.03 111.132 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.42 ' N ' HG23 ' A' ' 33' ' ' ILE . 11.1 mm-40 -91.27 -57.23 2.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 44.1 110.892 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -52.54 -55.72 20.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 74.44 110.827 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.3 tp -81.13 -7.56 59.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 53.11 110.899 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? 51.16 53.86 12.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 75.01 110.909 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.7 131.9 48.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 60.52 111.11 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -55.88 176.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 43.44 110.9 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 36.9 t -87.37 -40.77 14.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 64.33 110.85 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.544 HD12 ' N ' ' A' ' 42' ' ' ASP . 0.3 OUTLIER -81.59 -11.94 58.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 63.43 110.947 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.544 ' N ' HD12 ' A' ' 41' ' ' LEU . 84.0 m-20 -82.79 -41.7 18.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 74.11 110.901 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.799 ' HA ' HD12 ' A' ' 46' ' ' LEU . 1.9 p -49.83 -53.76 23.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 72.03 111.109 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.449 HG22 ' O ' ' A' ' 41' ' ' LEU . 21.4 m -50.2 -31.44 7.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 72.32 111.147 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -84.49 -38.74 19.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 74.03 110.896 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.799 HD12 ' HA ' ' A' ' 43' ' ' THR . 4.2 mt -66.81 -57.45 7.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 72.23 110.932 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 34.9 mtm -59.16 -31.68 69.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 75.25 110.892 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 10.9 tpt -53.71 -37.03 62.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 74.04 110.868 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.407 ' HA ' HG22 ' A' ' 52' ' ' VAL . . . -57.62 -22.97 48.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 64.42 111.123 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.673 HD11 ' HB2' ' A' ' 18' ' ' LYS . 44.8 mm -71.58 -23.24 22.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 74.02 111.135 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -83.13 -45.56 13.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 73.03 110.872 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.407 HG22 ' HA ' ' A' ' 49' ' ' ALA . 15.8 m -73.64 -17.74 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 54.04 111.149 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -84.65 -55.03 4.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 65.31 110.856 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -77.31 -24.89 50.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 74.43 110.944 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 87.63 24.73 34.95 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.743 -0.741 . . . . 55.32 112.531 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 29.1 pt -120.9 -177.9 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.816 0.341 . . . . 64.41 111.134 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -118.18 140.55 49.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 74.42 110.88 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 60.4 mt -145.51 95.42 4.99 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.627 0.727 . . . . 62.14 111.098 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.86 163.65 37.55 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.671 2.248 . . . . 33.53 112.365 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -51.94 -35.34 45.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 62.11 110.828 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -58.84 -33.1 70.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 74.12 110.905 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -105.54 11.74 32.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 64.23 110.92 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.88 -11.02 60.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 70.25 111.075 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 68.9 p -106.89 15.64 25.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 74.14 111.164 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -119.83 8.58 11.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 54.12 110.928 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.63 ' O ' HG22 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -143.45 13.95 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 73.51 111.111 179.888 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -71.68 -50.6 28.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 72.24 110.849 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.766 ' O ' HG23 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -82.11 146.37 29.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 71.33 111.155 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.614 HG13 HG21 ' A' ' 11' ' ' VAL . 31.2 t -54.32 -27.15 16.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 71.32 111.12 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.5 p -79.82 -33.22 40.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 73.23 110.862 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.17 -22.73 33.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.478 . . . . 42.42 110.867 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.766 HG23 ' O ' ' A' ' 68' ' ' THR . 98.2 t -61.34 -66.44 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 74.24 111.106 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.769 HD12 HG22 ' A' ' 7' ' ' ILE . 35.2 mm -66.83 -24.06 32.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 75.43 111.168 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.7 tmtt? -70.88 -52.92 17.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 73.02 110.857 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -75.66 -55.36 5.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.283 -0.417 . . . . 63.0 110.911 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.485 HD12 ' CG1' ' A' ' 72' ' ' VAL . 68.4 mt -48.77 -29.81 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 72.21 111.131 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 36.0 tttt -58.43 -64.99 0.73 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 72.51 110.922 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -61.89 -23.83 66.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 63.53 110.861 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.11 -43.52 61.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 74.52 110.881 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -57.57 134.61 56.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 74.2 110.899 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.3 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 71.13 110.872 -179.817 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.2 ptt? . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.726 0.298 . . . . 71.31 110.815 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.1 m -90.38 126.2 35.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 71.23 110.861 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 16.4 p -149.26 114.23 5.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 60.23 111.15 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . 1.037 HG23 HD12 ' A' ' 7' ' ' ILE . 4.0 m 57.39 43.58 23.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 74.12 111.143 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -107.6 -33.47 7.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.445 . . . . 74.35 110.909 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.17 -22.52 60.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 73.3 110.901 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 1.037 HD12 HG23 ' A' ' 4' ' ' THR . 45.3 mt -66.95 -40.09 84.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 74.33 111.125 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.528 ' O ' HG12 ' A' ' 11' ' ' VAL . 6.0 tp10 -58.2 -37.72 75.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 64.32 110.9 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.624 ' O ' HG22 ' A' ' 12' ' ' ILE . 31.6 tt0 -88.93 -21.05 23.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 64.1 110.912 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -82.82 -19.67 37.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 64.2 110.897 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.698 ' HB ' HD11 ' A' ' 73' ' ' ILE . 10.4 p -51.21 -30.49 10.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 65.1 111.108 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.694 HG13 HG21 ' A' ' 26' ' ' ILE . 4.4 tt -70.56 -37.98 71.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 73.25 111.168 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -73.87 -25.29 59.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 75.12 110.904 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.4 tpt -71.64 -62.45 1.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 75.03 110.836 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.403 HG21 HG22 ' A' ' 69' ' ' VAL . 59.2 t -55.61 -24.53 16.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 53.53 111.147 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.15 -25.15 62.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 35.4 111.122 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -105.46 -24.1 12.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 70.34 110.899 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.476 ' HB2' HD11 ' A' ' 50' ' ' ILE . 8.2 tttm -60.23 -57.94 10.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 70.34 110.907 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.666 ' CD2' HD13 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -116.08 20.7 14.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 72.13 110.906 179.915 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 53.52 58.57 5.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 72.25 110.902 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.803 ' HE3' HD22 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -104.5 121.01 42.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 54.22 110.947 179.88 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -55.92 154.99 6.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 75.24 110.879 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.2 ptpp? -58.62 -29.25 66.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 61.42 110.891 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.8 -3.77 52.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 75.21 111.129 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.9 mm -106.11 -26.95 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 65.34 111.147 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.694 HG21 HG13 ' A' ' 12' ' ' ILE . 43.3 mm -49.53 115.52 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 71.23 111.097 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -136.49 148.27 47.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 62.11 111.139 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 72.7 p -56.97 -44.33 82.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 74.21 111.176 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -103.17 28.82 5.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 65.34 110.887 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.7 t -51.88 134.5 31.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 73.54 110.884 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -122.96 49.46 1.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 73.3 110.866 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -49.73 -33.27 15.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 75.35 110.881 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.566 HD12 ' HB3' ' A' ' 38' ' ' ALA . 5.5 tp -56.52 -42.95 76.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 71.51 111.131 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.43 ' N ' HG23 ' A' ' 33' ' ' ILE . 8.8 tm-20 -91.35 -57.28 2.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 61.43 110.856 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -53.9 -55.85 23.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 73.23 110.863 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.803 HD22 ' HE3' ' A' ' 21' ' ' LYS . 2.6 tp -81.72 -4.56 56.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 71.44 110.903 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.1 mmtt 50.93 58.35 5.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 74.42 110.852 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.566 ' HB3' HD12 ' A' ' 33' ' ' ILE . . . -62.07 120.6 11.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 74.14 111.121 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.429 ' O ' HG23 ' A' ' 43' ' ' THR . 0.3 OUTLIER -51.95 157.67 1.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 41.54 110.893 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.0 t -79.72 -36.8 36.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 74.34 110.88 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.601 HD23 ' H ' ' A' ' 41' ' ' LEU . 1.5 pt? -81.34 -26.21 35.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 74.04 110.882 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -82.2 -36.6 27.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 63.55 110.843 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.467 ' HA ' HD12 ' A' ' 46' ' ' LEU . 0.8 OUTLIER -50.92 -51.03 56.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 75.33 111.163 -179.908 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.575 HG12 ' O ' ' A' ' 41' ' ' LEU . 10.9 p -50.1 -31.18 7.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 52.55 111.197 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -84.51 -37.98 20.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.104 -0.498 . . . . 74.51 110.881 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.666 HD13 ' CD2' ' A' ' 19' ' ' LEU . 15.9 mt -66.93 -53.76 28.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 70.13 110.907 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 28.8 mtm -63.59 -31.06 72.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 74.15 110.894 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.544 ' CE ' HG13 ' A' ' 52' ' ' VAL . 10.4 tpt -51.68 -37.74 51.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 63.13 110.891 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.413 ' HA ' HG22 ' A' ' 52' ' ' VAL . . . -54.75 -31.5 58.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 72.25 111.109 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.476 HD11 ' HB2' ' A' ' 18' ' ' LYS . 39.6 mm -64.66 -23.31 33.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 64.24 111.112 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -81.87 -44.41 16.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 74.02 110.902 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.544 HG13 ' CE ' ' A' ' 48' ' ' MET . 15.8 m -78.39 -17.61 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 72.02 111.083 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -85.66 -55.15 4.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 53.24 110.848 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -82.55 -25.32 33.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.198 -0.456 . . . . 74.11 110.899 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 72.1 51.52 13.87 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.706 -0.759 . . . . 63.22 112.523 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 12.8 pt -138.89 -178.31 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.837 0.351 . . . . 71.41 111.125 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -120.3 138.7 53.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 75.05 110.883 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.8 mp -142.05 95.56 6.81 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.636 0.731 . . . . 73.52 111.17 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 163.94 36.46 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.658 2.239 . . . . 74.23 112.349 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.501 ' HA ' ' HB2' ' A' ' 63' ' ' ALA . 0.6 OUTLIER -50.68 -36.52 36.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 52.23 110.85 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -58.51 -36.93 74.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 73.2 110.855 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -105.89 11.85 31.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 61.43 110.908 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.501 ' HB2' ' HA ' ' A' ' 60' ' ' ASP . . . -54.46 -36.38 64.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 63.13 111.059 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.9 t -96.38 17.56 15.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 73.54 111.123 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -100.98 -2.62 31.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 73.13 110.896 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.626 ' O ' HG22 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -143.65 13.85 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 75.13 111.113 179.899 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.6 tmmm? -71.69 -50.3 31.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 61.35 110.878 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.761 ' O ' HG23 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -82.67 146.69 28.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 64.13 111.186 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.49 HG13 ' CG2' ' A' ' 11' ' ' VAL . 49.3 t -54.05 -28.12 17.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.434 . . . . 71.11 111.121 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.52 -32.58 42.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 60.33 110.835 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -83.07 -23.65 33.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 71.25 110.844 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.761 HG23 ' O ' ' A' ' 68' ' ' THR . 91.4 t -60.82 -65.94 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 75.52 111.152 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.698 HD11 ' HB ' ' A' ' 11' ' ' VAL . 28.3 mm -66.87 -24.76 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 73.31 111.105 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.68 -50.9 39.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 71.31 110.901 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.401 ' HB3' HG22 ' A' ' 66' ' ' ILE . 61.6 t80 -78.44 -55.01 5.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.23 -0.441 . . . . 75.04 110.935 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.504 HD12 ' CG1' ' A' ' 72' ' ' VAL . 64.4 mt -50.56 -27.14 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 74.15 111.124 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.9 tttt -50.96 -63.66 1.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 65.15 110.884 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -72.91 -15.68 61.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.286 -0.416 . . . . 63.32 110.886 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.15 -25.48 60.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 62.43 110.894 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 58.6 mm-40 -87.67 7.17 31.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 44.43 110.947 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 70.43 110.836 -179.778 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.601 HG23 HD12 ' A' ' 7' ' ' ILE . 95.1 m . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.831 0.348 . . . . 65.44 111.171 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -55.57 -36.6 67.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 73.32 110.828 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt -66.98 -21.82 65.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 72.22 110.87 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.601 HD12 HG23 ' A' ' 4' ' ' THR . 38.6 mt -71.18 -37.64 67.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 72.12 111.138 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.431 ' O ' HG12 ' A' ' 11' ' ' VAL . 34.1 tt0 -63.95 -28.49 69.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 74.3 110.902 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.404 ' O ' HG22 ' A' ' 12' ' ' ILE . 89.8 mt-30 -97.88 -20.06 17.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 55.35 110.915 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.9 tmmm? -88.53 -18.65 27.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 75.32 110.883 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.751 ' HB ' HD11 ' A' ' 73' ' ' ILE . 7.6 p -50.85 -37.56 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 71.1 111.137 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.568 HG13 HG21 ' A' ' 26' ' ' ILE . 5.6 tt -51.78 -41.42 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 30.44 111.105 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.4 ' N ' HG23 ' A' ' 12' ' ' ILE . 13.1 tp10 -73.62 -26.43 60.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 62.34 110.859 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.58 ' CE ' HD13 ' A' ' 50' ' ' ILE . 7.5 tpt -72.46 -62.43 1.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 65.3 110.883 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 99.0 t -56.54 -24.35 18.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 72.24 111.126 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.59 -23.46 53.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 64.34 111.134 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -102.5 -20.14 14.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.165 -0.47 . . . . 73.24 110.876 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.767 ' HB2' HD11 ' A' ' 50' ' ' ILE . 0.2 OUTLIER -70.3 -53.49 16.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 73.52 110.891 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -114.87 20.7 14.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.445 . . . . 73.34 110.897 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 34.3 t-20 52.48 47.47 24.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 71.53 110.867 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.607 ' HZ2' HD23 ' A' ' 36' ' ' LEU . 15.1 tptt -93.57 121.04 34.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 73.33 110.882 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.675 ' CB ' HD12 ' A' ' 25' ' ' ILE . 2.1 t70 -54.31 148.41 11.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 64.32 110.859 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.5 ptmt -58.92 -24.88 62.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 71.22 110.861 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.22 0.2 42.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 70.24 111.095 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.675 HD12 ' CB ' ' A' ' 22' ' ' ASP . 8.3 mt -117.05 -22.33 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 63.43 111.093 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.568 HG21 HG13 ' A' ' 12' ' ' ILE . 49.5 mm -50.83 107.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 72.55 111.129 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 34.7 p -128.69 158.57 38.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 72.05 111.146 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 70.2 p -61.43 -39.46 90.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 71.11 111.136 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -101.8 26.9 6.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 71.11 110.867 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.2 t -51.94 104.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 73.03 110.858 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 30.7 mtm180 -96.76 48.79 1.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 61.14 110.873 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.3 p90 -51.18 -31.51 20.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 60.23 110.84 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.461 HD12 ' HB3' ' A' ' 38' ' ' ALA . 5.5 tp -55.94 -42.47 71.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 75.31 111.102 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.415 ' N ' HG23 ' A' ' 33' ' ' ILE . 35.5 mm-40 -91.02 -57.21 2.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 74.2 110.918 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.71 -55.65 21.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 73.11 110.897 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.607 HD23 ' HZ2' ' A' ' 21' ' ' LYS . 0.2 OUTLIER -81.98 -5.78 58.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 74.12 110.935 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.0 mmtm 51.22 56.4 8.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.486 . . . . 71.23 110.886 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.461 ' HB3' HD12 ' A' ' 33' ' ' ILE . . . -62.45 108.71 1.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 61.4 111.066 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -63.48 176.06 0.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 75.2 110.888 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.543 ' O ' HG23 ' A' ' 44' ' ' VAL . 91.4 p -80.76 -51.14 8.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 64.15 110.834 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -58.97 -27.35 65.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 73.52 110.923 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -79.88 -46.08 17.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 54.31 110.798 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -57.8 -23.03 50.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 61.25 111.142 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 40' ' ' SER . 95.0 t -53.13 -54.09 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 73.12 111.12 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -83.67 -43.62 15.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 73.24 110.919 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 81.9 mt -52.24 -51.28 59.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 70.32 110.923 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 39.4 mtm -72.53 -25.95 61.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 63.3 110.903 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 12.5 tpt -66.64 -35.54 80.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 74.5 110.886 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.417 ' HA ' HG22 ' A' ' 52' ' ' VAL . . . -58.55 -21.78 53.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 72.01 111.1 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.767 HD11 ' HB2' ' A' ' 18' ' ' LYS . 41.0 mm -74.6 -23.39 17.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 73.54 111.074 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -83.41 -41.76 17.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 73.11 110.851 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.417 HG22 ' HA ' ' A' ' 49' ' ' ALA . 16.3 m -76.29 -19.85 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 45.01 111.14 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -85.17 -55.08 4.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 75.55 110.892 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -78.43 -25.32 45.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.464 . . . . 74.31 110.944 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 82.69 20.79 60.96 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.741 . . . . 74.52 112.473 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.577 ' CD1' HD11 ' A' ' 58' ' ' ILE . 18.0 pt -118.53 -176.85 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.798 0.332 . . . . 75.33 111.154 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.449 ' C ' HD12 ' A' ' 58' ' ' ILE . 5.4 m-20 -120.74 143.03 49.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 75.2 110.853 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.577 HD11 ' CD1' ' A' ' 56' ' ' ILE . 5.3 mp -143.62 95.38 5.86 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.672 0.748 . . . . 52.45 111.11 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 58' ' ' ILE . 53.6 Cg_endo -69.81 163.62 37.62 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.682 2.255 . . . . 72.21 112.318 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.482 ' HA ' ' HB2' ' A' ' 63' ' ' ALA . 1.2 t70 -51.47 -33.93 33.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 74.41 110.86 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -59.94 -36.37 76.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 44.34 110.931 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -105.99 11.87 31.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 70.41 110.896 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.482 ' HB2' ' HA ' ' A' ' 60' ' ' ASP . . . -58.89 -31.39 68.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 43.11 111.072 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.9 p -98.74 17.03 20.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 71.12 111.131 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.67 1.02 20.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 62.34 110.879 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.476 HD13 ' H ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -143.95 14.25 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 72.11 111.137 179.871 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.11 -45.67 47.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 64.32 110.855 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.528 ' O ' HG12 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -82.67 160.82 22.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 73.43 111.196 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.0 t -65.77 -30.77 51.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 73.45 111.125 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 t -82.96 -28.04 30.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 72.41 110.907 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -83.23 -37.55 23.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.108 -0.496 . . . . 71.4 110.881 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.528 HG12 ' O ' ' A' ' 68' ' ' THR . 7.2 p -64.91 -38.58 83.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 62.14 111.125 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.751 HD11 ' HB ' ' A' ' 11' ' ' VAL . 41.8 mm -82.76 -24.75 8.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 75.32 111.096 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.65 -35.6 29.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 74.11 110.892 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.468 ' HB3' HG22 ' A' ' 66' ' ' ILE . 70.1 t80 -82.61 -62.37 1.63 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.234 -0.439 . . . . 72.44 110.902 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.501 HD12 HG22 ' A' ' 72' ' ' VAL . 60.4 mt -48.3 -31.85 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 52.42 111.164 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -58.26 -60.01 4.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 70.41 110.886 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -69.74 -24.18 63.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 74.13 110.913 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.18 -32.26 64.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 75.5 110.924 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 55.1 mm-40 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 72.43 110.962 179.975 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 1.0 HG23 HD12 ' A' ' 7' ' ' ILE . 98.5 m . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.77 0.319 . . . . 62.04 111.113 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -54.76 -31.75 59.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 72.41 110.834 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.32 -29.92 68.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 70.33 110.896 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 1.0 HD12 HG23 ' A' ' 4' ' ' THR . 56.4 mt -60.43 -40.11 83.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 62.54 111.118 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.502 ' O ' HG12 ' A' ' 11' ' ' VAL . 22.7 tt0 -50.85 -41.07 57.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 61.43 110.925 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.689 ' O ' HG22 ' A' ' 12' ' ' ILE . 13.6 mm100 -90.76 -19.84 23.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 74.42 110.894 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.7 ttpt -74.22 -18.32 60.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 70.52 110.925 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.953 HG21 HG13 ' A' ' 69' ' ' VAL . 7.3 p -51.14 -37.44 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 72.2 111.139 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.689 HG22 ' O ' ' A' ' 9' ' ' GLN . 4.1 tt -59.09 -38.03 71.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 65.23 111.133 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -75.65 -22.09 57.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 62.02 110.88 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.606 ' CE ' HD13 ' A' ' 50' ' ' ILE . 7.6 tpt -82.69 -61.7 1.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 55.23 110.906 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 92.4 t -56.07 -24.5 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 44.32 111.133 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.6 -23.53 58.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 62.34 111.085 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -103.98 -22.95 13.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 74.13 110.853 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.5 ' HB2' HD11 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -65.69 -54.77 22.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 74.43 110.91 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.598 HD22 HD13 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -115.03 20.86 14.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 45.43 110.927 179.878 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 52.19 50.07 19.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 64.24 110.871 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.454 ' NZ ' HG21 ' A' ' 25' ' ' ILE . 0.1 OUTLIER -95.74 123.09 39.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 65.41 110.878 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.669 ' CB ' HD12 ' A' ' 25' ' ' ILE . 4.1 t70 -55.2 147.24 16.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 75.42 110.874 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -59.6 -20.58 56.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 62.45 110.91 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.92 1.57 53.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 54.22 111.103 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.669 HD12 ' CB ' ' A' ' 22' ' ' ASP . 9.7 mt -118.55 -21.15 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 51.2 111.103 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 48.2 mm -49.37 107.04 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 74.12 111.164 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.595 HG23 ' O ' ' A' ' 25' ' ' ILE . 61.1 p -106.92 178.88 4.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 73.22 111.123 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 72.0 p -89.13 -21.08 23.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 73.02 111.093 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -90.18 -23.38 21.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.277 -0.42 . . . . 73.44 110.87 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 48.31 75.33 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 51.55 110.852 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -103.73 30.85 4.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 71.24 110.854 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 10.7 p90 -51.96 -32.4 33.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 72.14 110.917 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.418 HG23 ' N ' ' A' ' 34' ' ' GLU . 5.4 tp -55.92 -42.33 70.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 73.32 111.124 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.418 ' N ' HG23 ' A' ' 33' ' ' ILE . 3.4 tp10 -90.94 -57.01 2.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 74.13 110.891 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -52.68 -55.65 21.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 73.24 110.867 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.77 -10.64 59.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 64.52 110.948 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.9 tmtt? 57.13 46.17 19.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 61.24 110.936 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.98 147.46 52.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 63.24 111.099 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -93.03 173.92 7.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 70.34 110.863 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 53.0 p -80.5 -40.43 26.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 61.22 110.84 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -73.19 -21.76 60.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 54.01 110.92 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -80.79 -39.84 26.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 71.33 110.867 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -56.55 -23.97 43.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.145 -0.48 . . . . 64.43 111.13 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 83.7 t -53.04 -52.44 29.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 55.45 111.134 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -83.59 -44.17 14.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 65.44 110.898 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.598 HD13 HD22 ' A' ' 19' ' ' LEU . 94.1 mt -51.91 -44.45 63.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 74.2 110.901 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 52.7 mtm -78.4 -29.93 47.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 65.55 110.92 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.4 tpt -55.52 -32.08 62.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 73.33 110.861 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.427 ' HA ' HG22 ' A' ' 52' ' ' VAL . . . -61.11 -18.71 59.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 54.33 111.122 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.606 HD13 ' CE ' ' A' ' 14' ' ' MET . 40.2 mm -77.7 -23.65 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 74.05 111.168 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.545 ' OE1' HD12 ' A' ' 58' ' ' ILE . 3.1 mm-40 -83.65 -41.11 18.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 71.32 110.883 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.427 HG22 ' HA ' ' A' ' 49' ' ' ALA . 16.5 m -74.47 -21.83 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 72.14 111.15 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -84.77 -55.26 4.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 75.24 110.839 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -75.19 -25.24 58.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 74.43 110.93 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 74.53 15.71 80.37 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.774 -0.727 . . . . 74.04 112.465 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.409 HD11 HD11 ' A' ' 58' ' ' ILE . 45.0 pt -110.78 -175.52 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.825 0.345 . . . . 73.34 111.113 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -119.01 134.81 54.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 64.24 110.886 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.545 HD12 ' OE1' ' A' ' 51' ' ' GLU . 2.7 mp -137.47 95.75 11.28 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.613 0.72 . . . . 75.3 111.178 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 58' ' ' ILE . 54.3 Cg_endo -69.74 163.85 36.72 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.651 2.234 . . . . 60.51 112.388 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.426 ' HA ' ' HB2' ' A' ' 63' ' ' ALA . 33.3 m-20 -50.41 -40.5 50.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.293 -0.412 . . . . 64.53 110.91 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -54.61 -36.66 64.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 63.43 110.865 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -106.15 11.9 30.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 73.14 110.886 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.426 ' HB2' ' HA ' ' A' ' 60' ' ' ASP . . . -72.04 -15.5 62.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 70.52 111.113 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 70.4 p -106.61 17.59 23.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.211 -0.45 . . . . 52.14 111.142 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.5 mmmt -119.52 7.43 11.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 75.01 110.879 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.474 HD13 ' H ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -143.82 14.28 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 73.14 111.074 179.908 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.31 -44.86 50.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 72.15 110.907 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.522 ' O ' HG12 ' A' ' 72' ' ' VAL . 0.2 OUTLIER -82.84 160.41 22.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 64.55 111.158 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.953 HG13 HG21 ' A' ' 11' ' ' VAL . 98.1 t -65.71 -30.9 51.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 54.52 111.089 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.2 t -83.23 -28.04 29.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 65.1 110.894 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -83.14 -37.2 24.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 54.2 110.85 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.522 HG12 ' O ' ' A' ' 68' ' ' THR . 7.2 p -64.97 -38.27 82.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 62.45 111.089 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.681 HD12 HG22 ' A' ' 7' ' ' ILE . 40.3 mm -83.16 -25.12 8.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 74.42 111.154 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.7 -34.94 30.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 74.33 110.895 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.471 ' HB3' HG22 ' A' ' 66' ' ' ILE . 42.9 t80 -82.86 -62.12 1.69 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 74.21 110.875 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.507 HD12 HG22 ' A' ' 72' ' ' VAL . 64.8 mt -48.22 -37.18 6.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 73.53 111.144 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.1 tttp -51.52 -39.52 57.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 73.54 110.916 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.38 -17.69 26.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 74.21 110.879 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.17 -46.68 49.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 72.24 110.861 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 73.23 110.855 -179.902 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 1.132 HG23 HD12 ' A' ' 7' ' ' ILE . 4.3 m . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.8 0.333 . . . . 72.15 111.128 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -103.96 -41.16 5.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 75.42 110.838 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.8 mmtp -67.09 -31.37 71.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 75.33 110.908 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 1.132 HD12 HG23 ' A' ' 4' ' ' THR . 71.4 mt -56.02 -31.56 31.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 71.01 111.149 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.411 ' O ' HG12 ' A' ' 11' ' ' VAL . 13.9 tt0 -61.35 -66.88 0.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 74.44 110.859 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.636 ' O ' HG22 ' A' ' 12' ' ' ILE . 38.0 tt0 -64.43 -19.98 65.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 72.33 110.913 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.6 ttpp -77.55 -4.61 46.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 75.1 110.904 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.665 HG21 HG13 ' A' ' 69' ' ' VAL . 9.8 p -66.78 -28.63 43.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 53.34 111.123 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.636 HG22 ' O ' ' A' ' 9' ' ' GLN . 4.1 tt -69.58 -38.35 76.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 51.52 111.099 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -76.84 -20.8 55.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.453 . . . . 72.11 110.875 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.578 ' CE ' HD13 ' A' ' 50' ' ' ILE . 8.0 tpt -78.02 -62.61 1.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 72.41 110.852 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 64.8 t -58.42 -24.4 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 72.52 111.116 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.67 -23.25 60.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 71.44 111.131 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -103.54 -33.36 9.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 71.43 110.902 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.747 ' HB2' HD11 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -52.47 -55.28 23.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 73.01 110.931 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.7 ' CD2' HD13 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -115.12 20.6 14.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 73.43 110.929 179.917 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.2 m120 51.49 42.29 29.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 62.45 110.909 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.494 ' HE2' HG21 ' A' ' 25' ' ' ILE . 4.2 tptm -86.13 125.16 33.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 73.42 110.938 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.556 ' CB ' HD12 ' A' ' 25' ' ' ILE . 6.3 t0 -58.57 151.34 20.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 51.12 110.86 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 37.7 mtpt -59.11 -25.19 63.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 72.43 110.865 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.53 -1.13 40.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 74.03 111.125 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.556 HD12 ' CB ' ' A' ' 22' ' ' ASP . 7.6 mt -116.01 -21.92 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 74.14 111.171 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.546 HG21 HG13 ' A' ' 12' ' ' ILE . 37.4 mm -50.99 110.56 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 74.13 111.096 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.8 p -142.95 142.4 31.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 74.33 111.153 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.7 t -55.99 -31.86 63.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 52.52 111.115 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -100.71 25.12 8.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.274 -0.421 . . . . 75.12 110.912 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.7 p -59.57 140.96 55.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.472 . . . . 75.03 110.866 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 59.9 mtm180 -130.01 49.22 2.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 73.21 110.861 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -50.53 -32.53 18.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 51.55 110.905 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.435 HG23 ' N ' ' A' ' 34' ' ' GLU . 5.3 tp -55.65 -43.93 74.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 53.42 111.107 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.435 ' N ' HG23 ' A' ' 33' ' ' ILE . 8.1 tp10 -91.11 -57.23 2.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 71.25 110.843 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -52.67 -55.58 21.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 72.21 110.85 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.551 HD23 HD12 ' A' ' 19' ' ' LEU . 2.2 tp -81.75 -6.22 58.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 73.22 110.92 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? 51.5 55.72 8.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 64.54 110.911 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.96 112.12 3.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 75.13 111.106 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -56.53 175.56 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 72.32 110.866 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.2 t -77.07 -54.94 5.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 54.23 110.89 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -61.36 -24.39 66.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 61.23 110.928 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -81.21 -49.13 11.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 70.45 110.865 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.626 ' HA ' HD12 ' A' ' 46' ' ' LEU . 4.1 p -52.63 -52.24 56.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 75.02 111.121 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.8 m -50.74 -32.68 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 70.14 111.089 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -83.97 -37.13 22.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 72.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.7 HD13 ' CD2' ' A' ' 19' ' ' LEU . 9.4 mt -66.9 -56.33 10.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 64.31 110.932 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 32.8 mtm -61.07 -31.48 71.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 71.41 110.897 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 11.3 tpt -52.41 -40.5 62.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 74.22 110.885 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.408 ' HA ' HG22 ' A' ' 52' ' ' VAL . . . -55.72 -29.6 59.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 62.44 111.093 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.747 HD11 ' HB2' ' A' ' 18' ' ' LYS . 46.0 mm -64.83 -23.14 32.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 74.12 111.143 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.48 ' HG3' HD12 ' A' ' 58' ' ' ILE . 1.0 OUTLIER -82.71 -46.37 13.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 62.43 110.902 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.408 HG22 ' HA ' ' A' ' 49' ' ' ALA . 16.0 m -76.18 -16.45 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 74.11 111.08 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -81.85 -55.06 4.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 62.42 110.897 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -82.16 -25.03 34.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 74.12 110.932 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 87.73 30.5 18.04 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.721 -0.752 . . . . 60.44 112.469 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 17.6 pt -125.2 -178.37 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.795 0.331 . . . . 72.32 111.157 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -121.6 136.57 54.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 64.22 110.831 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.48 HD12 ' HG3' ' A' ' 51' ' ' GLU . 4.4 mp -140.11 95.44 8.45 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.675 0.75 . . . . 61.32 111.161 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 58' ' ' ILE . 53.1 Cg_endo -69.79 163.67 37.42 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.664 2.243 . . . . 64.31 112.297 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.425 ' HA ' ' HB2' ' A' ' 63' ' ' ALA . 40.6 m-20 -51.39 -36.09 41.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 40.01 110.891 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -58.66 -35.99 73.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 74.13 110.843 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -105.93 11.76 31.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 75.43 110.879 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.425 ' HB2' ' HA ' ' A' ' 60' ' ' ASP . . . -68.7 -14.27 62.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 53.24 111.092 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 23.4 p -107.01 17.06 23.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 72.43 111.178 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.0 mmtm -119.11 8.45 11.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 54.05 110.881 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.622 ' O ' HG22 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -144.56 14.15 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 71.41 111.148 179.882 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.4 tttt -73.45 -55.15 6.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 74.24 110.881 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.774 ' O ' HG23 ' A' ' 72' ' ' VAL . 0.8 OUTLIER -74.63 146.49 42.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 65.31 111.154 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.665 HG13 HG21 ' A' ' 11' ' ' VAL . 57.9 t -53.03 -31.47 17.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 64.31 111.143 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.4 t -77.05 -33.04 57.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 75.24 110.885 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -83.19 -22.73 33.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 62.22 110.863 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.774 HG23 ' O ' ' A' ' 68' ' ' THR . 77.3 t -60.44 -66.35 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 62.0 111.154 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.809 HD12 HG22 ' A' ' 7' ' ' ILE . 29.6 mm -66.06 -39.2 83.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 60.4 111.151 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.63 -53.77 50.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 51.31 110.913 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.421 ' HB3' HG22 ' A' ' 66' ' ' ILE . 41.6 t80 -73.49 -55.76 5.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.216 -0.447 . . . . 72.3 110.949 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.506 HD12 ' CG1' ' A' ' 72' ' ' VAL . 86.5 mt -49.78 -28.32 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 74.53 111.141 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 18.4 ttmm -59.71 -66.5 0.5 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 75.11 110.896 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -61.9 -26.48 68.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 71.42 110.842 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.47 -31.3 63.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 70.3 110.869 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 72.21 110.947 -179.947 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 1.06 HG23 HD12 ' A' ' 7' ' ' ILE . 10.9 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.786 0.327 . . . . 75.35 111.151 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -110.73 -48.81 3.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 75.22 110.861 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.83 -35.47 63.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 61.24 110.9 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 1.06 HD12 HG23 ' A' ' 4' ' ' THR . 63.0 mt -53.89 -33.25 23.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 65.02 111.164 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -54.06 -66.54 0.38 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 74.44 110.904 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.709 ' O ' HG22 ' A' ' 12' ' ' ILE . 9.6 mm-40 -68.85 -23.8 64.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 52.23 110.882 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.9 tmmm? -68.67 -12.94 62.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 65.34 110.902 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.698 HG21 HG13 ' A' ' 69' ' ' VAL . 7.6 p -57.11 -29.67 32.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 75.32 111.111 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.709 HG22 ' O ' ' A' ' 9' ' ' GLN . 4.1 tt -64.96 -38.23 82.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 74.53 111.099 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -76.22 -20.78 57.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 72.23 110.908 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 6.8 tpt -82.21 -61.9 1.77 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 50.23 110.885 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.415 HG21 HG22 ' A' ' 69' ' ' VAL . 94.2 t -52.91 -39.66 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 65.14 111.108 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.68 -23.8 53.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 52.32 111.093 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -105.49 -20.42 13.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 62.34 110.898 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.526 ' HB2' HD11 ' A' ' 50' ' ' ILE . 5.1 ttmt -65.24 -56.64 11.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 74.32 110.907 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.783 HD12 HD23 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -115.83 18.18 15.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 71.21 110.905 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 33.5 t30 56.01 55.7 6.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 75.43 110.899 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.45 121.0 41.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 63.12 110.886 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.683 ' CB ' HD12 ' A' ' 25' ' ' ILE . 5.2 t70 -50.94 145.73 6.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 62.13 110.838 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.6 ptpt -58.82 -24.39 61.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 65.3 110.879 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.74 1.58 38.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 61.11 111.109 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.683 HD12 ' CB ' ' A' ' 22' ' ' ASP . 9.4 mt -118.87 -22.49 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 75.24 111.144 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.552 HG21 HG13 ' A' ' 12' ' ' ILE . 45.4 mm -50.05 117.92 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 74.3 111.136 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 12.0 p -137.55 149.51 46.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.182 -0.463 . . . . 54.1 111.129 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 79.9 p -52.2 -39.82 60.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 44.23 111.149 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -100.98 29.38 4.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 73.52 110.854 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.1 t -49.66 118.39 2.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 65.55 110.865 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 67.8 mtm180 -109.38 50.11 0.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 64.32 110.896 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -48.67 -33.41 9.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 55.41 110.885 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.426 HG23 ' N ' ' A' ' 34' ' ' GLU . 5.4 tp -56.0 -43.58 75.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 75.01 111.125 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.426 ' N ' HG23 ' A' ' 33' ' ' ILE . 38.1 mt-10 -91.04 -56.84 3.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 71.32 110.859 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -53.64 -55.71 23.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 54.23 110.914 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.783 HD23 HD12 ' A' ' 19' ' ' LEU . 2.4 tp -82.47 -3.58 56.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 75.14 110.97 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.8 tptm 51.14 52.35 15.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 65.1 110.939 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.18 114.54 3.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 64.42 111.105 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.419 ' O ' HG23 ' A' ' 43' ' ' THR . 2.8 m-20 -54.95 176.04 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 75.1 110.837 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.9 m -85.95 -40.32 15.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 53.44 110.859 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.446 ' O ' HG12 ' A' ' 44' ' ' VAL . 2.2 pt? -74.8 -27.05 60.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 64.15 110.911 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -82.19 -40.07 22.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 74.31 110.914 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.625 ' HA ' HD12 ' A' ' 46' ' ' LEU . 0.8 OUTLIER -51.37 -54.4 26.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 72.54 111.165 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.446 HG12 ' O ' ' A' ' 41' ' ' LEU . 10.2 p -50.32 -30.57 7.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 53.02 111.167 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -84.15 -40.05 18.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 73.24 110.898 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.632 HD13 ' CD2' ' A' ' 19' ' ' LEU . 6.9 mt -66.09 -56.4 11.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 74.4 110.922 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 33.8 mtm -59.77 -32.92 71.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 51.31 110.913 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.499 ' CE ' HG13 ' A' ' 52' ' ' VAL . 10.2 tpt -52.81 -35.64 57.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 63.05 110.897 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.407 ' HA ' HG22 ' A' ' 52' ' ' VAL . . . -56.75 -33.45 66.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 71.23 111.135 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.526 HD11 ' HB2' ' A' ' 18' ' ' LYS . 38.8 mm -60.91 -23.96 31.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 72.35 111.15 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.463 ' HG2' HD13 ' A' ' 58' ' ' ILE . 9.9 mt-10 -81.66 -50.36 9.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 61.12 110.902 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.499 HG13 ' CE ' ' A' ' 48' ' ' MET . 15.6 m -71.94 -16.17 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 64.32 111.102 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -85.43 -55.04 4.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 72.44 110.942 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -76.78 -25.27 53.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 74.4 110.879 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.77 18.67 59.46 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.738 . . . . 71.54 112.519 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 15.8 pt -113.04 -178.29 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.853 0.359 . . . . 62.35 111.127 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.506 ' C ' HD12 ' A' ' 58' ' ' ILE . 23.6 m-20 -118.34 144.71 45.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 74.35 110.867 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.506 HD12 ' C ' ' A' ' 57' ' ' ASP . 5.3 mp -144.6 95.49 5.36 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.625 0.726 . . . . 73.33 111.108 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 163.68 37.4 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.665 2.243 . . . . 61.25 112.358 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.481 ' HA ' ' HB2' ' A' ' 63' ' ' ALA . 4.4 m-20 -51.43 -36.21 42.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.205 -0.452 . . . . 72.34 110.872 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -58.49 -35.54 72.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 72.51 110.83 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -106.02 11.9 31.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 74.25 110.858 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.481 ' HB2' ' HA ' ' A' ' 60' ' ' ASP . . . -60.99 -27.53 68.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 71.01 111.117 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.4 p -101.18 17.43 22.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 73.12 111.11 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.12 3.42 20.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 51.11 110.885 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.645 ' O ' HG22 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -144.0 14.2 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 72.51 111.123 179.83 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.05 -52.48 16.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 73.25 110.929 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.774 ' O ' HG23 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -79.93 146.47 32.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 73.32 111.163 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.698 HG13 HG21 ' A' ' 11' ' ' VAL . 26.2 t -53.66 -28.44 16.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 73.32 111.154 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.5 p -78.95 -33.51 45.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 70.34 110.831 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -82.85 -22.78 33.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 74.4 110.822 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.774 HG23 ' O ' ' A' ' 68' ' ' THR . 95.5 t -61.28 -66.31 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 70.21 111.089 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.814 HD12 HG22 ' A' ' 7' ' ' ILE . 32.7 mm -67.08 -23.9 31.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 73.14 111.143 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.88 -54.33 16.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 74.34 110.929 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.409 ' HB3' HG22 ' A' ' 66' ' ' ILE . 68.0 t80 -75.54 -54.25 7.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 74.45 110.945 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.499 HD12 ' CG1' ' A' ' 72' ' ' VAL . 70.3 mt -48.89 -28.76 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 45.23 111.166 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 51.9 tttt -61.71 -66.33 0.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 62.03 110.889 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -60.58 -26.87 67.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 61.44 110.873 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.22 -34.62 66.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 73.22 110.853 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 41.3 mm-40 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 63.51 110.882 -179.912 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.957 HG23 HD12 ' A' ' 7' ' ' ILE . 28.6 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.778 0.323 . . . . 63.11 111.157 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -51.62 -41.34 61.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 74.41 110.871 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.76 -39.91 74.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 73.21 110.923 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.957 HD12 HG23 ' A' ' 4' ' ' THR . 70.2 mt -54.02 -35.54 28.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 74.23 111.127 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.466 ' O ' HG12 ' A' ' 11' ' ' VAL . 35.6 tt0 -52.67 -53.01 53.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 54.23 110.895 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.632 ' O ' HG22 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -82.16 -20.06 38.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 63.13 110.947 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -78.84 -4.72 50.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 72.22 110.864 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.595 ' HB ' HD11 ' A' ' 73' ' ' ILE . 7.3 p -66.58 -29.66 47.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 70.45 111.115 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.633 HG13 HG21 ' A' ' 26' ' ' ILE . 4.1 tt -71.8 -37.25 61.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 60.33 111.179 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -74.04 -22.94 59.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 73.31 110.917 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.565 ' CE ' HD13 ' A' ' 50' ' ' ILE . 7.8 tpt -74.71 -62.62 1.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 64.44 110.869 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.5 t -53.58 -39.52 37.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 63.22 111.172 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.444 ' HB2' HD11 ' A' ' 26' ' ' ILE . . . -59.22 -23.32 62.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 64.22 111.134 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -103.44 -23.17 13.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 73.35 110.852 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.761 ' HB2' HD11 ' A' ' 50' ' ' ILE . 6.4 tmtm? -61.73 -57.31 12.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 74.44 110.879 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.639 HD22 HD13 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -115.8 20.82 14.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 75.55 110.885 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 54.6 62.8 2.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 65.4 110.887 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.7 126.22 54.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 73.13 110.946 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.548 ' CB ' HD12 ' A' ' 25' ' ' ILE . 6.4 t70 -58.81 151.8 20.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.437 . . . . 64.53 110.896 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.9 -19.3 50.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 74.22 110.86 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.66 1.58 54.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.416 . . . . 73.21 111.098 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.548 HD12 ' CB ' ' A' ' 22' ' ' ASP . 9.3 mt -117.94 -21.36 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 65.2 111.108 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.633 HG21 HG13 ' A' ' 12' ' ' ILE . 33.1 mm -50.69 111.43 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 62.51 111.117 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 12.9 p -115.63 162.02 17.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 62.13 111.159 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 72.4 p -69.98 -28.41 65.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 72.42 111.127 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.469 ' O ' HG22 ' A' ' 68' ' ' THR . 28.0 m-20 -79.84 -22.6 42.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 70.21 110.866 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.477 ' OG ' HG23 ' A' ' 69' ' ' VAL . 1.2 m 52.28 69.21 0.7 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 65.35 110.826 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 50.0 mtp180 -99.46 33.24 2.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.053 -0.521 . . . . 74.22 110.897 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -51.35 -32.55 26.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 71.41 110.858 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.475 HD12 ' HB3' ' A' ' 38' ' ' ALA . 5.4 tp -55.84 -42.87 72.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 65.41 111.091 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.419 ' N ' HG23 ' A' ' 33' ' ' ILE . 57.6 tt0 -91.06 -57.15 2.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 71.43 110.905 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -52.91 -55.63 21.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 64.34 110.885 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.12 -5.24 58.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 72.14 110.893 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp 51.14 56.71 7.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 63.43 110.898 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.475 ' HB3' HD12 ' A' ' 33' ' ' ILE . . . -62.92 156.17 25.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 62.31 111.118 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -100.87 175.81 5.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 73.34 110.837 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.1 t -79.89 -54.63 5.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 73.33 110.888 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -68.36 -22.12 64.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 71.32 110.921 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -76.69 -47.28 22.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 72.13 110.845 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -54.52 -26.16 30.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 74.54 111.1 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 46.8 t -59.5 -48.78 86.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 62.15 111.121 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -83.55 -34.81 25.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 71.52 110.916 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.639 HD13 HD22 ' A' ' 19' ' ' LEU . 89.9 mt -64.0 -57.92 8.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 62.23 110.922 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 37.8 mtm -58.44 -24.03 59.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 63.21 110.868 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.42 ' CE ' HG13 ' A' ' 52' ' ' VAL . 9.6 tpt -71.5 -35.8 70.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.424 . . . . 74.33 110.874 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.427 ' HA ' HG22 ' A' ' 52' ' ' VAL . . . -55.26 -33.75 63.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 72.45 111.1 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.761 HD11 ' HB2' ' A' ' 18' ' ' LYS . 38.0 mm -61.84 -23.44 31.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 70.42 111.097 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -81.89 -48.02 12.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 62.32 110.856 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.427 HG22 ' HA ' ' A' ' 49' ' ' ALA . 16.0 m -74.43 -16.98 16.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 62.53 111.126 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -82.2 -55.14 4.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 71.44 110.879 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.434 ' CE1' HG23 ' A' ' 7' ' ' ILE . 4.5 m-85 -80.08 -25.13 40.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 73.34 110.929 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 89.4 29.87 15.53 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.71 -0.757 . . . . 65.42 112.482 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.638 ' CD1' HD11 ' A' ' 58' ' ' ILE . 16.7 pt -132.05 -177.75 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.817 0.341 . . . . 70.41 111.098 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -122.61 139.39 53.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 63.42 110.84 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.666 HG21 ' CD1' ' A' ' 66' ' ' ILE . 4.7 mp -141.14 95.43 7.48 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.654 0.74 . . . . 74.31 111.162 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 58' ' ' ILE . 53.9 Cg_endo -69.7 163.7 37.23 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.7 2.267 . . . . 72.43 112.347 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.422 ' HA ' ' HB2' ' A' ' 63' ' ' ALA . 8.0 m-20 -51.59 -30.79 22.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 65.52 110.825 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -63.54 -37.12 86.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.472 . . . . 74.13 110.897 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -105.15 11.9 32.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 75.05 110.884 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.422 ' HB2' ' HA ' ' A' ' 60' ' ' ASP . . . -57.81 -22.71 48.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 72.12 111.147 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 16.9 p -96.15 -8.28 33.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 62.41 111.138 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.82 -7.55 59.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 53.24 110.87 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.666 ' CD1' HG21 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -144.04 15.44 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 74.23 111.159 179.862 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.1 tttm -70.32 -45.91 65.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 72.5 110.909 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.773 ' O ' HG23 ' A' ' 72' ' ' VAL . 0.4 OUTLIER -89.57 146.41 24.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 71.22 111.149 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.479 HG13 ' CG2' ' A' ' 11' ' ' VAL . 93.4 t -54.31 -26.18 15.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 62.32 111.129 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.8 t -79.96 -34.7 38.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 64.54 110.875 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -83.07 -22.48 33.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 74.25 110.867 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.773 HG23 ' O ' ' A' ' 68' ' ' THR . 80.6 t -60.24 -65.97 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 73.03 111.123 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.784 HD12 HG22 ' A' ' 7' ' ' ILE . 25.2 mm -68.28 -24.78 30.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.464 . . . . 55.13 111.114 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? -70.43 -46.56 63.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 70.01 110.88 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -82.48 -56.28 3.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 71.24 110.911 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.466 HD12 ' CG1' ' A' ' 72' ' ' VAL . 64.7 mt -48.07 -31.39 2.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 73.21 111.129 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.2 tttt -51.91 -66.91 0.3 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 73.33 110.922 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -67.67 -20.4 65.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.439 . . . . 73.54 110.884 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.14 -28.39 62.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 72.4 110.859 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 71.2 110.906 -179.936 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 1.098 HG23 HD12 ' A' ' 7' ' ' ILE . 40.0 m . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.786 0.327 . . . . 75.04 111.109 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -136.03 -54.0 0.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 73.54 110.861 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -56.46 -25.57 51.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 72.44 110.903 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 1.098 HD12 HG23 ' A' ' 4' ' ' THR . 45.2 mt -60.87 -31.84 50.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 70.32 111.125 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -58.01 -38.75 76.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 74.13 110.894 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.714 ' O ' HG22 ' A' ' 12' ' ' ILE . 9.9 mt-30 -91.97 -28.56 17.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 73.04 110.875 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.1 ttmt -65.11 -17.55 64.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 64.11 110.897 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.731 HG21 HG13 ' A' ' 69' ' ' VAL . 10.8 p -51.41 -30.22 10.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 75.2 111.116 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.714 HG22 ' O ' ' A' ' 9' ' ' GLN . 4.5 tt -64.93 -38.69 83.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 63.14 111.095 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -74.3 -22.77 59.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 73.13 110.893 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.602 ' CE ' HD13 ' A' ' 50' ' ' ILE . 8.2 tpt -81.08 -62.12 1.76 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 64.1 110.859 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.536 HG21 HG22 ' A' ' 69' ' ' VAL . 57.8 t -56.42 -24.51 18.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 65.35 111.136 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.81 -23.28 55.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 74.33 111.098 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -104.25 -17.25 14.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 72.45 110.875 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.756 ' HB2' HD11 ' A' ' 50' ' ' ILE . 0.7 OUTLIER -68.76 -57.84 5.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 65.13 110.925 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.714 HD21 HD13 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -115.96 20.73 14.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.283 -0.417 . . . . 65.32 110.925 179.891 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 54.9 52.83 11.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 64.32 110.894 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.39 120.96 39.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 74.24 110.904 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.491 ' HB3' HD12 ' A' ' 25' ' ' ILE . 0.7 OUTLIER -62.81 154.42 29.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 70.13 110.899 179.892 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.4 ptmm? -57.72 -22.94 49.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 74.21 110.934 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.88 -6.34 52.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 60.53 111.098 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.491 HD12 ' HB3' ' A' ' 22' ' ' ASP . 4.5 mp -117.13 -23.19 4.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 62.41 111.152 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.684 HG21 HG13 ' A' ' 12' ' ' ILE . 43.9 mm -49.88 104.33 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.476 . . . . 74.11 111.076 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.404 HG23 ' O ' ' A' ' 25' ' ' ILE . 37.2 p -129.44 148.49 51.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 54.31 111.192 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 48.5 p -55.17 -25.96 35.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.432 . . . . 63.54 111.144 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -118.47 28.9 8.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 73.11 110.898 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.76 108.44 0.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 65.22 110.849 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 -102.21 49.23 0.86 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 74.41 110.864 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -50.83 -31.88 18.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 73.34 110.889 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.416 HG23 ' N ' ' A' ' 34' ' ' GLU . 5.5 tp -55.87 -42.23 69.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 72.24 111.104 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.416 ' N ' HG23 ' A' ' 33' ' ' ILE . 10.8 mt-10 -90.82 -57.19 2.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 70.55 110.886 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -52.45 -55.56 21.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 62.4 110.907 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.618 ' O ' HD23 ' A' ' 36' ' ' LEU . 1.3 tt -81.79 -6.55 59.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 74.21 110.898 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp 50.93 54.5 11.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 72.32 110.881 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.03 126.88 28.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 62.23 111.127 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -55.51 176.07 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 54.13 110.895 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.8 t -98.28 -26.63 14.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 43.01 110.889 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.622 ' O ' HG22 ' A' ' 44' ' ' VAL . 2.1 pt? -80.89 -30.15 35.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 75.14 110.949 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -81.86 -34.53 30.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.483 . . . . 55.24 110.883 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.755 ' HA ' HD12 ' A' ' 46' ' ' LEU . 0.7 OUTLIER -50.87 -48.98 60.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 73.44 111.161 -179.839 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.622 HG22 ' O ' ' A' ' 41' ' ' LEU . 17.7 m -50.02 -31.71 7.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 75.52 111.133 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -84.61 -41.44 16.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.136 -0.484 . . . . 73.51 110.87 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.755 HD12 ' HA ' ' A' ' 43' ' ' THR . 3.5 mt -62.91 -53.64 51.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.466 . . . . 75.33 110.939 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 29.4 mtm -62.05 -35.3 78.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 74.14 110.868 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.55 ' CE ' HG13 ' A' ' 52' ' ' VAL . 9.8 tpt -52.1 -41.57 62.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 72.24 110.884 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.17 -34.26 60.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 53.31 111.139 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.756 HD11 ' HB2' ' A' ' 18' ' ' LYS . 42.1 mm -62.73 -23.26 32.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 74.43 111.088 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.691 ' OE1' HD13 ' A' ' 58' ' ' ILE . 3.0 mm-40 -81.65 -45.21 16.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 71.32 110.919 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.55 HG13 ' CE ' ' A' ' 48' ' ' MET . 15.4 m -77.6 -16.07 14.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 72.1 111.136 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -84.48 -55.08 4.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 65.1 110.9 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -82.8 -25.13 33.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 72.23 110.896 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 73.69 38.04 51.11 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.773 -0.727 . . . . 71.12 112.493 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.599 ' CD1' HD11 ' A' ' 58' ' ' ILE . 11.2 pt -120.33 179.68 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.878 0.37 . . . . 75.13 111.082 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.509 ' C ' HD12 ' A' ' 58' ' ' ILE . 22.6 t0 -115.33 135.03 54.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 51.04 110.853 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.691 HD13 ' OE1' ' A' ' 51' ' ' GLU . 5.3 mp -144.88 95.52 5.22 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.631 0.729 . . . . 74.33 111.118 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 163.71 37.28 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.677 2.252 . . . . 63.52 112.357 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.477 ' HA ' ' HB2' ' A' ' 63' ' ' ALA . 43.6 t0 -51.4 -33.93 32.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 64.24 110.901 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -60.53 -36.37 78.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 73.35 110.846 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -106.07 11.85 31.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 75.13 110.898 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.477 ' HB2' ' HA ' ' A' ' 60' ' ' ASP . . . -59.39 -22.14 60.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 62.03 111.079 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 10.2 t -106.82 13.12 28.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 52.12 111.14 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -103.42 2.93 34.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 72.41 110.891 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.585 ' O ' HG22 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -143.7 13.27 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 74.23 111.173 179.886 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.1 ttpt -72.32 -53.37 12.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 71.41 110.896 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.764 ' O ' HG23 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -78.77 146.89 33.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 70.23 111.153 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.731 HG13 HG21 ' A' ' 11' ' ' VAL . 27.7 t -55.1 -27.01 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 52.23 111.142 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 27.2 t -77.48 -36.23 52.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 72.24 110.857 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.86 -21.73 34.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 71.25 110.869 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.764 HG23 ' O ' ' A' ' 68' ' ' THR . 75.5 t -60.61 -66.13 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 53.55 111.138 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.769 HD12 HG22 ' A' ' 7' ' ' ILE . 46.9 mm -68.58 -24.52 29.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 65.1 111.126 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.95 -46.74 61.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 71.2 110.932 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.402 ' HB3' HG22 ' A' ' 66' ' ' ILE . 55.6 t80 -80.26 -57.47 3.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 75.42 110.897 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 53.3 mt -50.44 -25.96 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 72.11 111.17 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.3 ttpt -50.07 -61.64 2.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 73.45 110.874 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -76.38 -16.24 59.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 55.31 110.9 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.14 -36.57 66.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 55.12 110.862 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 72.45 110.919 -179.974 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.767 HG23 HD12 ' A' ' 7' ' ' ILE . 5.8 m . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.763 0.316 . . . . 75.5 111.112 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -117.91 -34.89 4.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.44 . . . . 70.43 110.836 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -80.37 -14.63 58.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 73.25 110.935 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.767 HD12 HG23 ' A' ' 4' ' ' THR . 17.8 mt -72.0 -29.98 35.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 73.44 111.147 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.601 ' O ' HG12 ' A' ' 11' ' ' VAL . 18.6 tt0 -66.35 -39.41 89.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 74.11 110.875 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.552 ' O ' HG22 ' A' ' 12' ' ' ILE . 23.1 tt0 -88.87 -19.91 25.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 73.24 110.926 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -87.18 -22.1 25.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 74.03 110.924 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.601 HG12 ' O ' ' A' ' 8' ' ' GLU . 7.8 p -54.03 -29.95 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 74.41 111.173 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.704 HG13 HG21 ' A' ' 26' ' ' ILE . 4.6 tt -56.09 -40.38 63.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.486 . . . . 74.34 111.162 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -77.88 -24.36 48.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.149 -0.478 . . . . 73.11 110.898 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.61 ' CE ' HD13 ' A' ' 50' ' ' ILE . 8.0 tpt -71.63 -62.39 1.43 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 74.23 110.928 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 97.6 t -56.72 -24.17 18.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.461 . . . . 73.44 111.137 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.428 ' HB2' HD11 ' A' ' 26' ' ' ILE . . . -76.03 -23.56 55.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 73.43 111.083 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -104.1 -17.39 14.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 43.51 110.879 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.715 ' HB2' HD11 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -69.18 -57.46 5.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 73.44 110.895 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.775 HD12 HD22 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -115.84 20.66 14.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 63.51 110.908 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 55.4 62.94 2.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 73.03 110.907 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.36 120.81 43.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 63.43 110.88 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -56.8 155.39 7.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 73.34 110.83 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -55.75 -33.56 64.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 71.14 110.923 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.89 -19.27 61.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 73.21 111.079 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.604 ' O ' HG22 ' A' ' 27' ' ' THR . 13.2 mm -92.43 -26.87 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 52.11 111.124 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.704 HG21 HG13 ' A' ' 12' ' ' ILE . 45.8 mm -51.0 116.45 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 74.12 111.152 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.604 HG22 ' O ' ' A' ' 25' ' ' ILE . 1.7 t -153.17 158.44 41.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 63.42 111.173 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.0 t -71.27 -11.26 60.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 35.04 111.134 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -117.03 22.72 12.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 61.11 110.845 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.429 ' N ' HG23 ' A' ' 27' ' ' THR . 1.2 p -56.92 129.46 41.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 70.51 110.844 -179.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -120.74 47.41 1.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.495 . . . . 72.42 110.885 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -49.94 -32.97 16.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 71.34 110.903 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.502 ' HA ' ' HB3' ' A' ' 38' ' ' ALA . 5.4 tp -56.01 -43.95 76.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 72.01 111.116 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.427 ' N ' HG23 ' A' ' 33' ' ' ILE . 7.3 tp10 -91.25 -57.2 2.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 75.14 110.92 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -53.35 -55.6 23.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.141 -0.481 . . . . 72.43 110.873 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.775 HD22 HD12 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -83.3 -2.31 55.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 53.23 110.891 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 51.03 51.06 17.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 74.02 110.883 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.502 ' HB3' ' HA ' ' A' ' 33' ' ' ILE . . . -62.23 109.46 1.33 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 71.1 111.09 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -65.86 160.14 23.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 65.32 110.868 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.741 ' O ' HG23 ' A' ' 44' ' ' VAL . 40.2 t -65.73 -56.14 13.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 73.22 110.852 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -57.65 -27.41 62.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 74.12 110.913 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -80.22 -48.48 13.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 72.04 110.856 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.438 HG23 ' HB1' ' A' ' 38' ' ' ALA . 1.4 p -56.54 -25.54 52.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.462 . . . . 74.22 111.139 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.741 HG23 ' O ' ' A' ' 40' ' ' SER . 63.1 t -60.08 -48.59 87.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 72.33 111.071 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -83.12 -34.44 26.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 72.15 110.86 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 89.6 mt -64.28 -56.84 11.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 74.12 110.944 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 63.6 mtm -63.59 -31.23 72.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 74.02 110.907 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.426 ' HE3' HG13 ' A' ' 52' ' ' VAL . 9.0 tpt -52.02 -36.59 50.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 41.1 110.85 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.424 ' HA ' HG22 ' A' ' 52' ' ' VAL . . . -54.78 -30.05 55.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 62.25 111.086 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.715 HD11 ' HB2' ' A' ' 18' ' ' LYS . 43.2 mm -64.55 -23.18 32.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 70.0 111.145 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -82.46 -46.16 13.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 55.43 110.852 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.426 HG13 ' HE3' ' A' ' 48' ' ' MET . 16.5 m -76.2 -18.51 15.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.476 . . . . 71.53 111.146 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -81.29 -54.91 5.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 74.51 110.899 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -80.92 -25.23 37.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 75.13 110.953 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 88.65 27.4 24.62 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 63.12 112.507 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.496 ' CD1' HD11 ' A' ' 58' ' ' ILE . 19.8 pt -125.48 -178.35 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.803 0.335 . . . . 72.11 111.151 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -119.33 137.0 54.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.461 . . . . 72.03 110.878 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.496 HD11 ' CD1' ' A' ' 56' ' ' ILE . 5.0 mp -142.79 95.98 6.19 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.62 0.724 . . . . 64.11 111.141 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 58' ' ' ILE . 54.1 Cg_endo -69.74 163.91 36.5 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.673 2.249 . . . . 73.32 112.375 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.456 ' HA ' ' HB2' ' A' ' 63' ' ' ALA . 1.9 m-20 -50.28 -38.31 40.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.284 -0.417 . . . . 61.44 110.898 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -56.34 -37.89 70.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 73.15 110.867 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -106.04 12.23 30.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 75.4 110.941 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.456 ' HB2' ' HA ' ' A' ' 60' ' ' ASP . . . -68.07 -11.96 59.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 15.44 111.143 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 38.3 p -106.39 -7.69 17.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.199 -0.455 . . . . 65.22 111.148 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 50.8 mmtt -88.1 6.4 36.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 70.33 110.9 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.631 ' O ' HG22 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -144.39 14.3 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 73.05 111.146 179.869 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.15 -50.51 32.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 64.33 110.894 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.766 ' O ' HG23 ' A' ' 72' ' ' VAL . 0.8 OUTLIER -83.55 146.68 28.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 74.34 111.171 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.5 t -53.58 -30.06 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 70.22 111.126 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.0 t -77.95 -32.22 51.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 64.44 110.843 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.15 -23.97 32.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.144 -0.48 . . . . 74.12 110.855 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.766 HG23 ' O ' ' A' ' 68' ' ' THR . 86.7 t -61.11 -65.93 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 73.23 111.078 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.567 ' CD1' HG22 ' A' ' 7' ' ' ILE . 27.0 mm -66.62 -24.13 32.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 53.4 111.15 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.08 -50.78 37.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 71.44 110.866 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -78.87 -55.14 5.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 73.12 110.897 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.507 HD12 ' CG1' ' A' ' 72' ' ' VAL . 60.6 mt -49.79 -28.12 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.48 . . . . 75.32 111.129 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.8 ttpt -53.06 -66.54 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 73.12 110.914 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -68.28 -19.82 64.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 73.23 110.873 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.02 -33.33 65.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 74.32 110.897 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 38.3 mm-40 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 71.32 110.93 -179.949 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 1.094 HG23 HD12 ' A' ' 7' ' ' ILE . 3.6 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.788 0.328 . . . . 71.02 111.141 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -100.29 -41.15 7.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 75.41 110.861 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.65 -32.84 73.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 45.43 110.934 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 1.094 HD12 HG23 ' A' ' 4' ' ' THR . 67.7 mt -57.99 -32.93 44.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 70.13 111.136 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.47 ' O ' HG12 ' A' ' 11' ' ' VAL . 4.0 tm-20 -54.52 -49.76 69.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 63.25 110.866 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.623 ' O ' HG22 ' A' ' 12' ' ' ILE . 4.0 tp60 -86.5 -20.08 28.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 63.4 110.933 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.4 ttmm -77.02 -4.94 46.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 54.45 110.917 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.977 HG21 HG13 ' A' ' 69' ' ' VAL . 14.2 p -66.18 -32.09 56.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 74.12 111.159 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.623 HG22 ' O ' ' A' ' 9' ' ' GLN . 4.2 tt -67.88 -37.54 78.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 72.1 111.131 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -73.88 -22.13 59.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 63.41 110.897 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.583 ' CE ' HD13 ' A' ' 50' ' ' ILE . 7.2 tpt -80.77 -62.58 1.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 75.35 110.839 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 57.7 t -56.08 -24.7 18.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.27 -0.423 . . . . 73.2 111.164 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.85 -23.41 61.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 74.45 111.098 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -105.24 -28.91 10.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 74.53 110.926 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.607 ' HB2' HD11 ' A' ' 50' ' ' ILE . 0.7 OUTLIER -55.56 -57.27 12.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.457 . . . . 75.31 110.913 179.927 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.738 HD12 HD23 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -115.61 20.57 14.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 64.54 110.885 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 52.63 64.57 1.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 52.24 110.898 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -112.01 125.25 53.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 75.54 110.896 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.677 ' CB ' HD12 ' A' ' 25' ' ' ILE . 1.6 t70 -56.04 147.8 19.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.433 . . . . 73.3 110.885 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.16 -24.3 62.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 65.13 110.88 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.94 0.1 46.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.421 . . . . 73.54 111.08 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.677 HD12 ' CB ' ' A' ' 22' ' ' ASP . 8.6 mt -117.17 -21.96 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 75.5 111.123 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.532 HG21 HG13 ' A' ' 12' ' ' ILE . 49.1 mm -50.46 121.74 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 64.35 111.116 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -148.96 145.62 27.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 71.21 111.098 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.5 t -53.58 -35.91 61.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 74.1 111.163 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -99.77 25.58 7.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 74.11 110.859 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 m -55.56 124.92 18.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 72.51 110.874 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.21 48.73 0.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 75.24 110.897 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -50.14 -33.23 18.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 63.22 110.828 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.472 HD12 ' HB3' ' A' ' 38' ' ' ALA . 5.4 tp -55.47 -43.9 73.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 62.21 111.098 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.431 ' N ' HG23 ' A' ' 33' ' ' ILE . 18.3 tp10 -91.45 -57.25 2.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 54.42 110.883 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -52.96 -55.78 20.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 74.25 110.882 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.738 HD23 HD12 ' A' ' 19' ' ' LEU . 1.4 tp -82.04 -5.23 58.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 44.35 110.89 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.8 mmtm 51.03 62.51 2.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 63.51 110.87 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.472 ' HB3' HD12 ' A' ' 33' ' ' ILE . . . -69.96 110.01 4.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 33.05 111.117 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -51.97 169.45 0.07 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 61.13 110.863 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 50.8 m -76.43 -38.33 55.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 43.01 110.826 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.529 HD12 ' N ' ' A' ' 42' ' ' ASP . 0.3 OUTLIER -81.5 -10.51 59.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 73.3 110.929 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.529 ' N ' HD12 ' A' ' 41' ' ' LEU . 22.1 m-20 -80.74 -46.52 15.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 74.0 110.902 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -53.94 -27.63 32.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 72.35 111.096 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 48.2 t -52.72 -58.39 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.42 . . . . 61.33 111.158 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -81.94 -41.84 20.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 70.11 110.87 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.578 HD13 HD22 ' A' ' 19' ' ' LEU . 68.7 mt -52.08 -57.73 8.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 64.52 110.862 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 35.0 mtm -65.72 -34.73 78.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 74.01 110.832 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 10.9 tpt -55.7 -31.88 62.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 23.54 110.859 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.432 ' HA ' HG22 ' A' ' 52' ' ' VAL . . . -60.16 -18.9 51.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 65.24 111.147 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.607 HD11 ' HB2' ' A' ' 18' ' ' LYS . 41.5 mm -78.53 -23.82 13.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 75.31 111.125 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -83.69 -39.92 19.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 75.53 110.905 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.432 HG22 ' HA ' ' A' ' 49' ' ' ALA . 16.4 m -75.08 -21.58 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 60.13 111.179 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -84.93 -55.08 4.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 72.21 110.894 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -76.49 -24.52 53.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 74.42 110.959 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 70.87 38.25 65.39 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.733 -0.746 . . . . 75.12 112.532 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.494 ' CD1' HD11 ' A' ' 58' ' ' ILE . 14.7 pt -127.8 156.02 39.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.837 0.351 . . . . 74.14 111.151 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -85.07 117.96 24.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 65.23 110.894 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.494 HD11 ' CD1' ' A' ' 56' ' ' ILE . 72.7 mt -138.2 95.42 10.53 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.661 0.743 . . . . 72.35 111.127 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 164.11 35.79 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.655 2.237 . . . . 75.3 112.361 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.464 ' HA ' ' HB2' ' A' ' 63' ' ' ALA . 73.2 m-20 -50.47 -38.69 45.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 61.33 110.826 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -55.48 -36.33 66.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 74.01 110.838 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -106.01 12.11 30.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 64.34 110.873 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.464 ' HB2' ' HA ' ' A' ' 60' ' ' ASP . . . -69.15 -11.06 60.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 52.22 111.112 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 65.3 p -105.15 -9.78 17.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 63.51 111.124 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 26.1 mttt -85.57 4.43 36.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 65.32 110.942 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.496 HG22 ' HB3' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -143.55 14.27 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 73.43 111.103 179.856 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 34.6 tttt -72.16 -45.65 59.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 72.02 110.844 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.505 ' O ' HG12 ' A' ' 72' ' ' VAL . 0.6 OUTLIER -84.68 162.86 19.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 72.43 111.135 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.977 HG13 HG21 ' A' ' 11' ' ' VAL . 58.1 t -66.93 -30.74 50.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 62.14 111.134 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.0 p -82.67 -27.92 30.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 71.53 110.899 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -83.61 -36.68 23.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 73.52 110.89 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.505 HG12 ' O ' ' A' ' 68' ' ' THR . 7.3 p -66.37 -37.93 80.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 74.11 111.146 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.559 ' CD1' HG22 ' A' ' 7' ' ' ILE . 41.8 mm -82.87 -25.85 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 61.5 111.116 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -81.98 -34.58 29.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 75.41 110.902 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.496 ' HB3' HG22 ' A' ' 66' ' ' ILE . 67.7 t80 -82.62 -62.75 1.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 75.34 110.934 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.504 HD12 HG22 ' A' ' 72' ' ' VAL . 60.3 mt -48.2 -32.71 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 72.32 111.112 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt -59.54 -47.99 83.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 75.11 110.931 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -80.1 -22.84 41.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 63.15 110.929 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.14 -46.42 51.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 73.4 110.902 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 44.6 mm-40 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 71.12 110.914 -179.957 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.822 HG23 HD12 ' A' ' 7' ' ' ILE . 96.1 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.785 0.326 . . . . 62.21 111.113 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -53.71 -42.67 68.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 75.04 110.869 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.68 -32.08 65.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 74.55 110.844 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.822 HD12 HG23 ' A' ' 4' ' ' THR . 55.2 mt -60.42 -32.63 51.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 53.24 111.126 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.588 ' HG2' HG21 ' A' ' 73' ' ' ILE . 98.0 mt-10 -56.31 -52.8 63.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 73.32 110.86 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.624 ' O ' HG22 ' A' ' 12' ' ' ILE . 7.0 mm100 -80.43 -22.05 41.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 53.42 110.881 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -75.95 -5.79 47.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 71.4 110.905 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.614 HG21 HG13 ' A' ' 69' ' ' VAL . 7.2 p -64.35 -29.58 47.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 72.2 111.139 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.66 HG13 HG21 ' A' ' 26' ' ' ILE . 4.2 tt -64.67 -39.18 84.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 65.43 111.126 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -78.1 -24.89 47.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 73.52 110.85 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.575 ' CE ' HD13 ' A' ' 50' ' ' ILE . 9.1 tpt -72.56 -62.11 1.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 64.32 110.879 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 94.5 t -56.24 -24.46 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 74.1 111.136 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.426 ' CA ' HD11 ' A' ' 26' ' ' ILE . . . -73.02 -23.57 60.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 70.21 111.102 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -102.84 -32.66 9.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 63.22 110.903 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.673 ' HB2' HD11 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -53.73 -54.06 43.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 64.53 110.922 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.762 HD21 HD13 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -115.76 20.68 14.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 75.24 110.882 179.896 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 43.0 t30 52.23 41.74 30.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 55.22 110.879 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -85.23 126.1 33.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 75.05 110.939 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.648 ' CB ' HD12 ' A' ' 25' ' ' ILE . 4.2 t70 -58.35 150.11 22.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.42 . . . . 43.02 110.899 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.7 ptmm? -58.89 -25.5 63.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 74.11 110.886 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.01 0.69 39.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 63.24 111.101 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.648 HD12 ' CB ' ' A' ' 22' ' ' ASP . 8.5 mt -117.24 -21.68 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 63.03 111.157 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.66 HG21 HG13 ' A' ' 12' ' ' ILE . 34.2 mm -50.44 116.33 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 65.03 111.114 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.7 p -141.77 159.55 41.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 73.54 111.132 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.3 p -64.65 -37.98 89.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.218 -0.446 . . . . 64.25 111.16 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -101.67 29.02 5.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 53.34 110.865 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 90.1 p -51.46 112.0 0.67 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 70.22 110.86 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 30.8 mtt85 -105.67 49.4 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 75.24 110.853 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -49.78 -33.52 16.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 70.2 110.872 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.42 HG23 ' N ' ' A' ' 34' ' ' GLU . 5.3 tp -55.04 -43.9 71.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 64.03 111.132 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.42 ' N ' HG23 ' A' ' 33' ' ' ILE . 11.1 mm-40 -91.27 -57.23 2.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 44.1 110.892 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -52.54 -55.72 20.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 74.44 110.827 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.3 tp -81.13 -7.56 59.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 53.11 110.899 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? 51.16 53.86 12.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 75.01 110.909 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.7 131.9 48.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 60.52 111.11 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -55.88 176.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 43.44 110.9 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 36.9 t -87.37 -40.77 14.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 64.33 110.85 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.544 HD12 ' N ' ' A' ' 42' ' ' ASP . 0.3 OUTLIER -81.59 -11.94 58.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 63.43 110.947 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.544 ' N ' HD12 ' A' ' 41' ' ' LEU . 84.0 m-20 -82.79 -41.7 18.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 74.11 110.901 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.799 ' HA ' HD12 ' A' ' 46' ' ' LEU . 1.9 p -49.83 -53.76 23.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 72.03 111.109 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.449 HG22 ' O ' ' A' ' 41' ' ' LEU . 21.4 m -50.2 -31.44 7.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 72.32 111.147 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -84.49 -38.74 19.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 74.03 110.896 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.799 HD12 ' HA ' ' A' ' 43' ' ' THR . 4.2 mt -66.81 -57.45 7.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 72.23 110.932 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 34.9 mtm -59.16 -31.68 69.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 75.25 110.892 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 10.9 tpt -53.71 -37.03 62.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 74.04 110.868 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.407 ' HA ' HG22 ' A' ' 52' ' ' VAL . . . -57.62 -22.97 48.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 64.42 111.123 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.673 HD11 ' HB2' ' A' ' 18' ' ' LYS . 44.8 mm -71.58 -23.24 22.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 74.02 111.135 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -83.13 -45.56 13.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 73.03 110.872 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.407 HG22 ' HA ' ' A' ' 49' ' ' ALA . 15.8 m -73.64 -17.74 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 54.04 111.149 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -84.65 -55.03 4.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 65.31 110.856 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -77.31 -24.89 50.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 74.43 110.944 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 87.63 24.73 34.95 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.743 -0.741 . . . . 55.32 112.531 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 29.1 pt -120.9 -177.9 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.816 0.341 . . . . 64.41 111.134 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -118.18 140.55 49.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 74.42 110.88 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 60.4 mt -145.51 95.42 4.99 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.627 0.727 . . . . 62.14 111.098 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.86 163.65 37.55 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.671 2.248 . . . . 33.53 112.365 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -51.94 -35.34 45.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 62.11 110.828 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -58.84 -33.1 70.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 74.12 110.905 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -105.54 11.74 32.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 64.23 110.92 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.88 -11.02 60.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 70.25 111.075 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 68.9 p -106.89 15.64 25.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 74.14 111.164 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -119.83 8.58 11.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 54.12 110.928 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.63 ' O ' HG22 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -143.45 13.95 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 73.51 111.111 179.888 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -71.68 -50.6 28.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 72.24 110.849 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.766 ' O ' HG23 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -82.11 146.37 29.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 71.33 111.155 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.614 HG13 HG21 ' A' ' 11' ' ' VAL . 31.2 t -54.32 -27.15 16.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 71.32 111.12 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.5 p -79.82 -33.22 40.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 73.23 110.862 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.17 -22.73 33.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.478 . . . . 42.42 110.867 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.766 HG23 ' O ' ' A' ' 68' ' ' THR . 98.2 t -61.34 -66.44 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 74.24 111.106 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.769 HD12 HG22 ' A' ' 7' ' ' ILE . 35.2 mm -66.83 -24.06 32.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 75.43 111.168 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.7 tmtt? -70.88 -52.92 17.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 73.02 110.857 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -75.66 -55.36 5.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.283 -0.417 . . . . 63.0 110.911 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.485 HD12 ' CG1' ' A' ' 72' ' ' VAL . 68.4 mt -48.77 -29.81 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 72.21 111.131 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 36.0 tttt -58.43 -64.99 0.73 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 72.51 110.922 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -61.89 -23.83 66.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 63.53 110.861 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.11 -43.52 61.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 74.52 110.881 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 74.2 110.899 -179.931 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 1.037 HG23 HD12 ' A' ' 7' ' ' ILE . 4.0 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.787 0.327 . . . . 74.12 111.143 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -107.6 -33.47 7.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.445 . . . . 74.35 110.909 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.17 -22.52 60.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 73.3 110.901 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 1.037 HD12 HG23 ' A' ' 4' ' ' THR . 45.3 mt -66.95 -40.09 84.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 74.33 111.125 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.528 ' O ' HG12 ' A' ' 11' ' ' VAL . 6.0 tp10 -58.2 -37.72 75.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 64.32 110.9 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.624 ' O ' HG22 ' A' ' 12' ' ' ILE . 31.6 tt0 -88.93 -21.05 23.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 64.1 110.912 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -82.82 -19.67 37.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 64.2 110.897 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.698 ' HB ' HD11 ' A' ' 73' ' ' ILE . 10.4 p -51.21 -30.49 10.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 65.1 111.108 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.694 HG13 HG21 ' A' ' 26' ' ' ILE . 4.4 tt -70.56 -37.98 71.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 73.25 111.168 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -73.87 -25.29 59.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 75.12 110.904 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.4 tpt -71.64 -62.45 1.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 75.03 110.836 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.403 HG21 HG22 ' A' ' 69' ' ' VAL . 59.2 t -55.61 -24.53 16.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 53.53 111.147 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.15 -25.15 62.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 35.4 111.122 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -105.46 -24.1 12.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 70.34 110.899 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.476 ' HB2' HD11 ' A' ' 50' ' ' ILE . 8.2 tttm -60.23 -57.94 10.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 70.34 110.907 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.666 ' CD2' HD13 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -116.08 20.7 14.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 72.13 110.906 179.915 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 53.52 58.57 5.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 72.25 110.902 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.803 ' HE3' HD22 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -104.5 121.01 42.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 54.22 110.947 179.88 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -55.92 154.99 6.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 75.24 110.879 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.2 ptpp? -58.62 -29.25 66.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 61.42 110.891 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.8 -3.77 52.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 75.21 111.129 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.9 mm -106.11 -26.95 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 65.34 111.147 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.694 HG21 HG13 ' A' ' 12' ' ' ILE . 43.3 mm -49.53 115.52 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 71.23 111.097 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -136.49 148.27 47.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 62.11 111.139 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 72.7 p -56.97 -44.33 82.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 74.21 111.176 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -103.17 28.82 5.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 65.34 110.887 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.7 t -51.88 134.5 31.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 73.54 110.884 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -122.96 49.46 1.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 73.3 110.866 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -49.73 -33.27 15.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 75.35 110.881 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.566 HD12 ' HB3' ' A' ' 38' ' ' ALA . 5.5 tp -56.52 -42.95 76.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 71.51 111.131 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.43 ' N ' HG23 ' A' ' 33' ' ' ILE . 8.8 tm-20 -91.35 -57.28 2.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 61.43 110.856 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -53.9 -55.85 23.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 73.23 110.863 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.803 HD22 ' HE3' ' A' ' 21' ' ' LYS . 2.6 tp -81.72 -4.56 56.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 71.44 110.903 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.1 mmtt 50.93 58.35 5.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 74.42 110.852 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.566 ' HB3' HD12 ' A' ' 33' ' ' ILE . . . -62.07 120.6 11.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 74.14 111.121 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.429 ' O ' HG23 ' A' ' 43' ' ' THR . 0.3 OUTLIER -51.95 157.67 1.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 41.54 110.893 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.0 t -79.72 -36.8 36.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 74.34 110.88 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.601 HD23 ' H ' ' A' ' 41' ' ' LEU . 1.5 pt? -81.34 -26.21 35.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 74.04 110.882 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -82.2 -36.6 27.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 63.55 110.843 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.467 ' HA ' HD12 ' A' ' 46' ' ' LEU . 0.8 OUTLIER -50.92 -51.03 56.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 75.33 111.163 -179.908 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.575 HG12 ' O ' ' A' ' 41' ' ' LEU . 10.9 p -50.1 -31.18 7.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 52.55 111.197 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -84.51 -37.98 20.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.104 -0.498 . . . . 74.51 110.881 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.666 HD13 ' CD2' ' A' ' 19' ' ' LEU . 15.9 mt -66.93 -53.76 28.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 70.13 110.907 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 28.8 mtm -63.59 -31.06 72.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 74.15 110.894 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.544 ' CE ' HG13 ' A' ' 52' ' ' VAL . 10.4 tpt -51.68 -37.74 51.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 63.13 110.891 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.413 ' HA ' HG22 ' A' ' 52' ' ' VAL . . . -54.75 -31.5 58.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 72.25 111.109 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.476 HD11 ' HB2' ' A' ' 18' ' ' LYS . 39.6 mm -64.66 -23.31 33.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 64.24 111.112 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -81.87 -44.41 16.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 74.02 110.902 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.544 HG13 ' CE ' ' A' ' 48' ' ' MET . 15.8 m -78.39 -17.61 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 72.02 111.083 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -85.66 -55.15 4.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 53.24 110.848 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -82.55 -25.32 33.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.198 -0.456 . . . . 74.11 110.899 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 72.1 51.52 13.87 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.706 -0.759 . . . . 63.22 112.523 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 12.8 pt -138.89 -178.31 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.837 0.351 . . . . 71.41 111.125 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -120.3 138.7 53.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 75.05 110.883 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.8 mp -142.05 95.56 6.81 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.636 0.731 . . . . 73.52 111.17 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 163.94 36.46 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.658 2.239 . . . . 74.23 112.349 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.501 ' HA ' ' HB2' ' A' ' 63' ' ' ALA . 0.6 OUTLIER -50.68 -36.52 36.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 52.23 110.85 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -58.51 -36.93 74.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 73.2 110.855 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -105.89 11.85 31.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 61.43 110.908 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.501 ' HB2' ' HA ' ' A' ' 60' ' ' ASP . . . -54.46 -36.38 64.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 63.13 111.059 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.9 t -96.38 17.56 15.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 73.54 111.123 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -100.98 -2.62 31.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 73.13 110.896 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.626 ' O ' HG22 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -143.65 13.85 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 75.13 111.113 179.899 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.6 tmmm? -71.69 -50.3 31.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 61.35 110.878 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.761 ' O ' HG23 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -82.67 146.69 28.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 64.13 111.186 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.49 HG13 ' CG2' ' A' ' 11' ' ' VAL . 49.3 t -54.05 -28.12 17.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.434 . . . . 71.11 111.121 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.52 -32.58 42.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 60.33 110.835 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -83.07 -23.65 33.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 71.25 110.844 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.761 HG23 ' O ' ' A' ' 68' ' ' THR . 91.4 t -60.82 -65.94 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 75.52 111.152 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.698 HD11 ' HB ' ' A' ' 11' ' ' VAL . 28.3 mm -66.87 -24.76 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 73.31 111.105 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.68 -50.9 39.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 71.31 110.901 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.401 ' HB3' HG22 ' A' ' 66' ' ' ILE . 61.6 t80 -78.44 -55.01 5.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.23 -0.441 . . . . 75.04 110.935 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.504 HD12 ' CG1' ' A' ' 72' ' ' VAL . 64.4 mt -50.56 -27.14 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 74.15 111.124 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.9 tttt -50.96 -63.66 1.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 65.15 110.884 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -72.91 -15.68 61.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.286 -0.416 . . . . 63.32 110.886 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.15 -25.48 60.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 62.43 110.894 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 58.6 mm-40 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 44.43 110.947 -179.955 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.7 mmt . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.755 0.312 . . . . 71.43 110.879 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.0 m -127.21 143.71 51.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 62.24 110.815 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.7 p -93.64 -24.38 17.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 73.25 111.124 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.601 HG23 HD12 ' A' ' 7' ' ' ILE . 95.1 m -52.52 -29.12 23.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 65.44 111.171 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -55.57 -36.6 67.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 73.32 110.828 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt -66.98 -21.82 65.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 72.22 110.87 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.601 HD12 HG23 ' A' ' 4' ' ' THR . 38.6 mt -71.18 -37.64 67.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 72.12 111.138 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.431 ' O ' HG12 ' A' ' 11' ' ' VAL . 34.1 tt0 -63.95 -28.49 69.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 74.3 110.902 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.404 ' O ' HG22 ' A' ' 12' ' ' ILE . 89.8 mt-30 -97.88 -20.06 17.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 55.35 110.915 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.9 tmmm? -88.53 -18.65 27.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 75.32 110.883 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.751 ' HB ' HD11 ' A' ' 73' ' ' ILE . 7.6 p -50.85 -37.56 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 71.1 111.137 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.568 HG13 HG21 ' A' ' 26' ' ' ILE . 5.6 tt -51.78 -41.42 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 30.44 111.105 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.4 ' N ' HG23 ' A' ' 12' ' ' ILE . 13.1 tp10 -73.62 -26.43 60.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 62.34 110.859 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.58 ' CE ' HD13 ' A' ' 50' ' ' ILE . 7.5 tpt -72.46 -62.43 1.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 65.3 110.883 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 99.0 t -56.54 -24.35 18.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 72.24 111.126 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.59 -23.46 53.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 64.34 111.134 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -102.5 -20.14 14.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.165 -0.47 . . . . 73.24 110.876 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.767 ' HB2' HD11 ' A' ' 50' ' ' ILE . 0.2 OUTLIER -70.3 -53.49 16.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 73.52 110.891 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -114.87 20.7 14.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.445 . . . . 73.34 110.897 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 34.3 t-20 52.48 47.47 24.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 71.53 110.867 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.607 ' HZ2' HD23 ' A' ' 36' ' ' LEU . 15.1 tptt -93.57 121.04 34.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 73.33 110.882 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.675 ' CB ' HD12 ' A' ' 25' ' ' ILE . 2.1 t70 -54.31 148.41 11.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 64.32 110.859 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.5 ptmt -58.92 -24.88 62.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 71.22 110.861 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.22 0.2 42.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 70.24 111.095 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.675 HD12 ' CB ' ' A' ' 22' ' ' ASP . 8.3 mt -117.05 -22.33 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 63.43 111.093 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.568 HG21 HG13 ' A' ' 12' ' ' ILE . 49.5 mm -50.83 107.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 72.55 111.129 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 34.7 p -128.69 158.57 38.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 72.05 111.146 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 70.2 p -61.43 -39.46 90.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 71.11 111.136 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -101.8 26.9 6.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 71.11 110.867 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.2 t -51.94 104.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 73.03 110.858 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 30.7 mtm180 -96.76 48.79 1.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 61.14 110.873 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.3 p90 -51.18 -31.51 20.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 60.23 110.84 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.461 HD12 ' HB3' ' A' ' 38' ' ' ALA . 5.5 tp -55.94 -42.47 71.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 75.31 111.102 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.415 ' N ' HG23 ' A' ' 33' ' ' ILE . 35.5 mm-40 -91.02 -57.21 2.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 74.2 110.918 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.71 -55.65 21.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 73.11 110.897 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.607 HD23 ' HZ2' ' A' ' 21' ' ' LYS . 0.2 OUTLIER -81.98 -5.78 58.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 74.12 110.935 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.0 mmtm 51.22 56.4 8.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.486 . . . . 71.23 110.886 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.461 ' HB3' HD12 ' A' ' 33' ' ' ILE . . . -62.45 108.71 1.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 61.4 111.066 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -63.48 176.06 0.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 75.2 110.888 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.543 ' O ' HG23 ' A' ' 44' ' ' VAL . 91.4 p -80.76 -51.14 8.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 64.15 110.834 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -58.97 -27.35 65.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 73.52 110.923 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -79.88 -46.08 17.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 54.31 110.798 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -57.8 -23.03 50.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 61.25 111.142 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 40' ' ' SER . 95.0 t -53.13 -54.09 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 73.12 111.12 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -83.67 -43.62 15.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 73.24 110.919 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 81.9 mt -52.24 -51.28 59.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 70.32 110.923 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 39.4 mtm -72.53 -25.95 61.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 63.3 110.903 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 12.5 tpt -66.64 -35.54 80.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 74.5 110.886 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.417 ' HA ' HG22 ' A' ' 52' ' ' VAL . . . -58.55 -21.78 53.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 72.01 111.1 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.767 HD11 ' HB2' ' A' ' 18' ' ' LYS . 41.0 mm -74.6 -23.39 17.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 73.54 111.074 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -83.41 -41.76 17.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 73.11 110.851 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.417 HG22 ' HA ' ' A' ' 49' ' ' ALA . 16.3 m -76.29 -19.85 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 45.01 111.14 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -85.17 -55.08 4.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 75.55 110.892 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -78.43 -25.32 45.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.464 . . . . 74.31 110.944 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 82.69 20.79 60.96 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.741 . . . . 74.52 112.473 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.577 ' CD1' HD11 ' A' ' 58' ' ' ILE . 18.0 pt -118.53 -176.85 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.798 0.332 . . . . 75.33 111.154 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.449 ' C ' HD12 ' A' ' 58' ' ' ILE . 5.4 m-20 -120.74 143.03 49.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 75.2 110.853 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.577 HD11 ' CD1' ' A' ' 56' ' ' ILE . 5.3 mp -143.62 95.38 5.86 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.672 0.748 . . . . 52.45 111.11 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 58' ' ' ILE . 53.6 Cg_endo -69.81 163.62 37.62 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.682 2.255 . . . . 72.21 112.318 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.482 ' HA ' ' HB2' ' A' ' 63' ' ' ALA . 1.2 t70 -51.47 -33.93 33.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 74.41 110.86 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -59.94 -36.37 76.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 44.34 110.931 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -105.99 11.87 31.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 70.41 110.896 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.482 ' HB2' ' HA ' ' A' ' 60' ' ' ASP . . . -58.89 -31.39 68.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 43.11 111.072 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.9 p -98.74 17.03 20.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 71.12 111.131 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.67 1.02 20.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 62.34 110.879 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.476 HD13 ' H ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -143.95 14.25 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 72.11 111.137 179.871 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.11 -45.67 47.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 64.32 110.855 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.528 ' O ' HG12 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -82.67 160.82 22.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 73.43 111.196 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.0 t -65.77 -30.77 51.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 73.45 111.125 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 t -82.96 -28.04 30.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 72.41 110.907 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -83.23 -37.55 23.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.108 -0.496 . . . . 71.4 110.881 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.528 HG12 ' O ' ' A' ' 68' ' ' THR . 7.2 p -64.91 -38.58 83.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 62.14 111.125 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.751 HD11 ' HB ' ' A' ' 11' ' ' VAL . 41.8 mm -82.76 -24.75 8.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 75.32 111.096 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.65 -35.6 29.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 74.11 110.892 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.468 ' HB3' HG22 ' A' ' 66' ' ' ILE . 70.1 t80 -82.61 -62.37 1.63 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.234 -0.439 . . . . 72.44 110.902 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.501 HD12 HG22 ' A' ' 72' ' ' VAL . 60.4 mt -48.3 -31.85 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 52.42 111.164 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -58.26 -60.01 4.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 70.41 110.886 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -69.74 -24.18 63.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 74.13 110.913 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.18 -32.26 64.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 75.5 110.924 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 55.1 mm-40 -64.36 105.77 0.99 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 72.43 110.962 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 18.9 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 71.24 110.859 -179.802 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.8 ptt? . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.754 0.312 . . . . 73.22 110.847 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -65.08 124.43 22.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.279 -0.418 . . . . 53.13 110.82 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.8 p -117.9 75.59 1.01 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 50.24 111.163 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 1.0 HG23 HD12 ' A' ' 7' ' ' ILE . 98.5 m -60.24 -24.03 64.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 62.04 111.113 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -54.76 -31.75 59.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 72.41 110.834 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.32 -29.92 68.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 70.33 110.896 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 1.0 HD12 HG23 ' A' ' 4' ' ' THR . 56.4 mt -60.43 -40.11 83.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 62.54 111.118 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.502 ' O ' HG12 ' A' ' 11' ' ' VAL . 22.7 tt0 -50.85 -41.07 57.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 61.43 110.925 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.689 ' O ' HG22 ' A' ' 12' ' ' ILE . 13.6 mm100 -90.76 -19.84 23.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 74.42 110.894 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.7 ttpt -74.22 -18.32 60.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 70.52 110.925 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.953 HG21 HG13 ' A' ' 69' ' ' VAL . 7.3 p -51.14 -37.44 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 72.2 111.139 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.689 HG22 ' O ' ' A' ' 9' ' ' GLN . 4.1 tt -59.09 -38.03 71.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 65.23 111.133 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -75.65 -22.09 57.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 62.02 110.88 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.606 ' CE ' HD13 ' A' ' 50' ' ' ILE . 7.6 tpt -82.69 -61.7 1.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 55.23 110.906 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 92.4 t -56.07 -24.5 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 44.32 111.133 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.6 -23.53 58.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 62.34 111.085 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -103.98 -22.95 13.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 74.13 110.853 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.5 ' HB2' HD11 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -65.69 -54.77 22.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 74.43 110.91 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.598 HD22 HD13 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -115.03 20.86 14.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 45.43 110.927 179.878 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 52.19 50.07 19.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 64.24 110.871 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.454 ' NZ ' HG21 ' A' ' 25' ' ' ILE . 0.1 OUTLIER -95.74 123.09 39.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 65.41 110.878 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.669 ' CB ' HD12 ' A' ' 25' ' ' ILE . 4.1 t70 -55.2 147.24 16.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 75.42 110.874 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -59.6 -20.58 56.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 62.45 110.91 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.92 1.57 53.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 54.22 111.103 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.669 HD12 ' CB ' ' A' ' 22' ' ' ASP . 9.7 mt -118.55 -21.15 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 51.2 111.103 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 48.2 mm -49.37 107.04 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 74.12 111.164 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.595 HG23 ' O ' ' A' ' 25' ' ' ILE . 61.1 p -106.92 178.88 4.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 73.22 111.123 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 72.0 p -89.13 -21.08 23.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 73.02 111.093 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -90.18 -23.38 21.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.277 -0.42 . . . . 73.44 110.87 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 48.31 75.33 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 51.55 110.852 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -103.73 30.85 4.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 71.24 110.854 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 10.7 p90 -51.96 -32.4 33.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 72.14 110.917 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.418 HG23 ' N ' ' A' ' 34' ' ' GLU . 5.4 tp -55.92 -42.33 70.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 73.32 111.124 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.418 ' N ' HG23 ' A' ' 33' ' ' ILE . 3.4 tp10 -90.94 -57.01 2.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 74.13 110.891 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -52.68 -55.65 21.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 73.24 110.867 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.77 -10.64 59.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 64.52 110.948 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.9 tmtt? 57.13 46.17 19.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 61.24 110.936 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.98 147.46 52.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 63.24 111.099 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -93.03 173.92 7.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 70.34 110.863 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 53.0 p -80.5 -40.43 26.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 61.22 110.84 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -73.19 -21.76 60.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 54.01 110.92 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -80.79 -39.84 26.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 71.33 110.867 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -56.55 -23.97 43.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.145 -0.48 . . . . 64.43 111.13 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 83.7 t -53.04 -52.44 29.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 55.45 111.134 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -83.59 -44.17 14.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 65.44 110.898 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.598 HD13 HD22 ' A' ' 19' ' ' LEU . 94.1 mt -51.91 -44.45 63.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 74.2 110.901 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 52.7 mtm -78.4 -29.93 47.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 65.55 110.92 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.4 tpt -55.52 -32.08 62.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 73.33 110.861 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.427 ' HA ' HG22 ' A' ' 52' ' ' VAL . . . -61.11 -18.71 59.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 54.33 111.122 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.606 HD13 ' CE ' ' A' ' 14' ' ' MET . 40.2 mm -77.7 -23.65 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 74.05 111.168 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.545 ' OE1' HD12 ' A' ' 58' ' ' ILE . 3.1 mm-40 -83.65 -41.11 18.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 71.32 110.883 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.427 HG22 ' HA ' ' A' ' 49' ' ' ALA . 16.5 m -74.47 -21.83 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 72.14 111.15 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -84.77 -55.26 4.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 75.24 110.839 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -75.19 -25.24 58.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 74.43 110.93 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 74.53 15.71 80.37 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.774 -0.727 . . . . 74.04 112.465 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.409 HD11 HD11 ' A' ' 58' ' ' ILE . 45.0 pt -110.78 -175.52 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.825 0.345 . . . . 73.34 111.113 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -119.01 134.81 54.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 64.24 110.886 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.545 HD12 ' OE1' ' A' ' 51' ' ' GLU . 2.7 mp -137.47 95.75 11.28 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.613 0.72 . . . . 75.3 111.178 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 58' ' ' ILE . 54.3 Cg_endo -69.74 163.85 36.72 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.651 2.234 . . . . 60.51 112.388 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.426 ' HA ' ' HB2' ' A' ' 63' ' ' ALA . 33.3 m-20 -50.41 -40.5 50.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.293 -0.412 . . . . 64.53 110.91 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -54.61 -36.66 64.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 63.43 110.865 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -106.15 11.9 30.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 73.14 110.886 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.426 ' HB2' ' HA ' ' A' ' 60' ' ' ASP . . . -72.04 -15.5 62.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 70.52 111.113 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 70.4 p -106.61 17.59 23.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.211 -0.45 . . . . 52.14 111.142 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.5 mmmt -119.52 7.43 11.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 75.01 110.879 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.474 HD13 ' H ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -143.82 14.28 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 73.14 111.074 179.908 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.31 -44.86 50.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 72.15 110.907 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.522 ' O ' HG12 ' A' ' 72' ' ' VAL . 0.2 OUTLIER -82.84 160.41 22.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 64.55 111.158 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.953 HG13 HG21 ' A' ' 11' ' ' VAL . 98.1 t -65.71 -30.9 51.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 54.52 111.089 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.2 t -83.23 -28.04 29.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 65.1 110.894 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -83.14 -37.2 24.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 54.2 110.85 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.522 HG12 ' O ' ' A' ' 68' ' ' THR . 7.2 p -64.97 -38.27 82.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 62.45 111.089 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.681 HD12 HG22 ' A' ' 7' ' ' ILE . 40.3 mm -83.16 -25.12 8.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 74.42 111.154 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.7 -34.94 30.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 74.33 110.895 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.471 ' HB3' HG22 ' A' ' 66' ' ' ILE . 42.9 t80 -82.86 -62.12 1.69 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 74.21 110.875 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.507 HD12 HG22 ' A' ' 72' ' ' VAL . 64.8 mt -48.22 -37.18 6.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 73.53 111.144 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.1 tttp -51.52 -39.52 57.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 73.54 110.916 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.38 -17.69 26.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 74.21 110.879 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.17 -46.68 49.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 72.24 110.861 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -110.69 -179.32 3.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 73.23 110.855 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.9 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 52.15 110.851 -179.794 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.0 ttp . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.768 0.318 . . . . 51.25 110.851 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.4 m -138.68 140.94 38.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 73.43 110.858 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.3 t -90.96 157.26 17.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.12 -0.491 . . . . 63.2 111.135 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 1.132 HG23 HD12 ' A' ' 7' ' ' ILE . 4.3 m 63.32 44.33 5.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 72.15 111.128 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -103.96 -41.16 5.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 75.42 110.838 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.8 mmtp -67.09 -31.37 71.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 75.33 110.908 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 1.132 HD12 HG23 ' A' ' 4' ' ' THR . 71.4 mt -56.02 -31.56 31.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 71.01 111.149 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.411 ' O ' HG12 ' A' ' 11' ' ' VAL . 13.9 tt0 -61.35 -66.88 0.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 74.44 110.859 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.636 ' O ' HG22 ' A' ' 12' ' ' ILE . 38.0 tt0 -64.43 -19.98 65.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 72.33 110.913 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.6 ttpp -77.55 -4.61 46.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 75.1 110.904 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.665 HG21 HG13 ' A' ' 69' ' ' VAL . 9.8 p -66.78 -28.63 43.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 53.34 111.123 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.636 HG22 ' O ' ' A' ' 9' ' ' GLN . 4.1 tt -69.58 -38.35 76.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 51.52 111.099 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -76.84 -20.8 55.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.453 . . . . 72.11 110.875 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.578 ' CE ' HD13 ' A' ' 50' ' ' ILE . 8.0 tpt -78.02 -62.61 1.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 72.41 110.852 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 64.8 t -58.42 -24.4 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 72.52 111.116 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.67 -23.25 60.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 71.44 111.131 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -103.54 -33.36 9.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 71.43 110.902 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.747 ' HB2' HD11 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -52.47 -55.28 23.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 73.01 110.931 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.7 ' CD2' HD13 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -115.12 20.6 14.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 73.43 110.929 179.917 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.2 m120 51.49 42.29 29.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 62.45 110.909 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.494 ' HE2' HG21 ' A' ' 25' ' ' ILE . 4.2 tptm -86.13 125.16 33.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 73.42 110.938 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.556 ' CB ' HD12 ' A' ' 25' ' ' ILE . 6.3 t0 -58.57 151.34 20.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 51.12 110.86 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 37.7 mtpt -59.11 -25.19 63.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 72.43 110.865 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.53 -1.13 40.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 74.03 111.125 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.556 HD12 ' CB ' ' A' ' 22' ' ' ASP . 7.6 mt -116.01 -21.92 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 74.14 111.171 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.546 HG21 HG13 ' A' ' 12' ' ' ILE . 37.4 mm -50.99 110.56 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 74.13 111.096 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.8 p -142.95 142.4 31.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 74.33 111.153 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.7 t -55.99 -31.86 63.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 52.52 111.115 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -100.71 25.12 8.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.274 -0.421 . . . . 75.12 110.912 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.7 p -59.57 140.96 55.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.472 . . . . 75.03 110.866 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 59.9 mtm180 -130.01 49.22 2.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 73.21 110.861 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -50.53 -32.53 18.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 51.55 110.905 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.435 HG23 ' N ' ' A' ' 34' ' ' GLU . 5.3 tp -55.65 -43.93 74.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 53.42 111.107 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.435 ' N ' HG23 ' A' ' 33' ' ' ILE . 8.1 tp10 -91.11 -57.23 2.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 71.25 110.843 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -52.67 -55.58 21.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 72.21 110.85 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.551 HD23 HD12 ' A' ' 19' ' ' LEU . 2.2 tp -81.75 -6.22 58.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 73.22 110.92 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? 51.5 55.72 8.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 64.54 110.911 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.96 112.12 3.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 75.13 111.106 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -56.53 175.56 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 72.32 110.866 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.2 t -77.07 -54.94 5.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 54.23 110.89 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -61.36 -24.39 66.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 61.23 110.928 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -81.21 -49.13 11.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 70.45 110.865 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.626 ' HA ' HD12 ' A' ' 46' ' ' LEU . 4.1 p -52.63 -52.24 56.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 75.02 111.121 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.8 m -50.74 -32.68 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 70.14 111.089 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -83.97 -37.13 22.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 72.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.7 HD13 ' CD2' ' A' ' 19' ' ' LEU . 9.4 mt -66.9 -56.33 10.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 64.31 110.932 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 32.8 mtm -61.07 -31.48 71.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 71.41 110.897 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 11.3 tpt -52.41 -40.5 62.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 74.22 110.885 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.408 ' HA ' HG22 ' A' ' 52' ' ' VAL . . . -55.72 -29.6 59.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 62.44 111.093 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.747 HD11 ' HB2' ' A' ' 18' ' ' LYS . 46.0 mm -64.83 -23.14 32.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 74.12 111.143 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.48 ' HG3' HD12 ' A' ' 58' ' ' ILE . 1.0 OUTLIER -82.71 -46.37 13.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 62.43 110.902 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.408 HG22 ' HA ' ' A' ' 49' ' ' ALA . 16.0 m -76.18 -16.45 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 74.11 111.08 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -81.85 -55.06 4.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 62.42 110.897 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -82.16 -25.03 34.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 74.12 110.932 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 87.73 30.5 18.04 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.721 -0.752 . . . . 60.44 112.469 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 17.6 pt -125.2 -178.37 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.795 0.331 . . . . 72.32 111.157 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -121.6 136.57 54.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 64.22 110.831 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.48 HD12 ' HG3' ' A' ' 51' ' ' GLU . 4.4 mp -140.11 95.44 8.45 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.675 0.75 . . . . 61.32 111.161 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 58' ' ' ILE . 53.1 Cg_endo -69.79 163.67 37.42 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.664 2.243 . . . . 64.31 112.297 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.425 ' HA ' ' HB2' ' A' ' 63' ' ' ALA . 40.6 m-20 -51.39 -36.09 41.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 40.01 110.891 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -58.66 -35.99 73.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 74.13 110.843 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -105.93 11.76 31.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 75.43 110.879 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.425 ' HB2' ' HA ' ' A' ' 60' ' ' ASP . . . -68.7 -14.27 62.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 53.24 111.092 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 23.4 p -107.01 17.06 23.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 72.43 111.178 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.0 mmtm -119.11 8.45 11.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 54.05 110.881 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.622 ' O ' HG22 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -144.56 14.15 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 71.41 111.148 179.882 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.4 tttt -73.45 -55.15 6.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 74.24 110.881 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.774 ' O ' HG23 ' A' ' 72' ' ' VAL . 0.8 OUTLIER -74.63 146.49 42.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 65.31 111.154 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.665 HG13 HG21 ' A' ' 11' ' ' VAL . 57.9 t -53.03 -31.47 17.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 64.31 111.143 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.4 t -77.05 -33.04 57.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 75.24 110.885 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -83.19 -22.73 33.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 62.22 110.863 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.774 HG23 ' O ' ' A' ' 68' ' ' THR . 77.3 t -60.44 -66.35 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 62.0 111.154 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.809 HD12 HG22 ' A' ' 7' ' ' ILE . 29.6 mm -66.06 -39.2 83.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 60.4 111.151 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.63 -53.77 50.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 51.31 110.913 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.421 ' HB3' HG22 ' A' ' 66' ' ' ILE . 41.6 t80 -73.49 -55.76 5.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.216 -0.447 . . . . 72.3 110.949 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.506 HD12 ' CG1' ' A' ' 72' ' ' VAL . 86.5 mt -49.78 -28.32 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 74.53 111.141 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 18.4 ttmm -59.71 -66.5 0.5 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 75.11 110.896 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -61.9 -26.48 68.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 71.42 110.842 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.47 -31.3 63.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 70.3 110.869 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -62.62 131.05 47.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 72.21 110.947 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 32.2 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 24.42 110.88 -179.812 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.787 0.327 . . . . 64.04 110.862 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.2 p -126.1 156.43 40.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 71.1 110.876 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.5 t -90.9 168.11 11.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 74.03 111.171 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 1.06 HG23 HD12 ' A' ' 7' ' ' ILE . 10.9 m 59.12 58.49 3.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 75.35 111.151 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -110.73 -48.81 3.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 75.22 110.861 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.83 -35.47 63.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 61.24 110.9 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 1.06 HD12 HG23 ' A' ' 4' ' ' THR . 63.0 mt -53.89 -33.25 23.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 65.02 111.164 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -54.06 -66.54 0.38 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 74.44 110.904 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.709 ' O ' HG22 ' A' ' 12' ' ' ILE . 9.6 mm-40 -68.85 -23.8 64.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 52.23 110.882 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.9 tmmm? -68.67 -12.94 62.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 65.34 110.902 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.698 HG21 HG13 ' A' ' 69' ' ' VAL . 7.6 p -57.11 -29.67 32.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 75.32 111.111 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.709 HG22 ' O ' ' A' ' 9' ' ' GLN . 4.1 tt -64.96 -38.23 82.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 74.53 111.099 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -76.22 -20.78 57.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 72.23 110.908 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 6.8 tpt -82.21 -61.9 1.77 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 50.23 110.885 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.415 HG21 HG22 ' A' ' 69' ' ' VAL . 94.2 t -52.91 -39.66 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 65.14 111.108 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.68 -23.8 53.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 52.32 111.093 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -105.49 -20.42 13.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 62.34 110.898 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.526 ' HB2' HD11 ' A' ' 50' ' ' ILE . 5.1 ttmt -65.24 -56.64 11.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 74.32 110.907 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.783 HD12 HD23 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -115.83 18.18 15.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 71.21 110.905 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 33.5 t30 56.01 55.7 6.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 75.43 110.899 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.45 121.0 41.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 63.12 110.886 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.683 ' CB ' HD12 ' A' ' 25' ' ' ILE . 5.2 t70 -50.94 145.73 6.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 62.13 110.838 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.6 ptpt -58.82 -24.39 61.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 65.3 110.879 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.74 1.58 38.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 61.11 111.109 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.683 HD12 ' CB ' ' A' ' 22' ' ' ASP . 9.4 mt -118.87 -22.49 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 75.24 111.144 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.552 HG21 HG13 ' A' ' 12' ' ' ILE . 45.4 mm -50.05 117.92 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 74.3 111.136 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 12.0 p -137.55 149.51 46.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.182 -0.463 . . . . 54.1 111.129 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 79.9 p -52.2 -39.82 60.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 44.23 111.149 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -100.98 29.38 4.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 73.52 110.854 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.1 t -49.66 118.39 2.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 65.55 110.865 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 67.8 mtm180 -109.38 50.11 0.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 64.32 110.896 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -48.67 -33.41 9.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 55.41 110.885 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.426 HG23 ' N ' ' A' ' 34' ' ' GLU . 5.4 tp -56.0 -43.58 75.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 75.01 111.125 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.426 ' N ' HG23 ' A' ' 33' ' ' ILE . 38.1 mt-10 -91.04 -56.84 3.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 71.32 110.859 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -53.64 -55.71 23.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 54.23 110.914 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.783 HD23 HD12 ' A' ' 19' ' ' LEU . 2.4 tp -82.47 -3.58 56.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 75.14 110.97 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.8 tptm 51.14 52.35 15.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 65.1 110.939 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.18 114.54 3.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 64.42 111.105 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.419 ' O ' HG23 ' A' ' 43' ' ' THR . 2.8 m-20 -54.95 176.04 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 75.1 110.837 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.9 m -85.95 -40.32 15.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 53.44 110.859 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.446 ' O ' HG12 ' A' ' 44' ' ' VAL . 2.2 pt? -74.8 -27.05 60.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 64.15 110.911 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -82.19 -40.07 22.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 74.31 110.914 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.625 ' HA ' HD12 ' A' ' 46' ' ' LEU . 0.8 OUTLIER -51.37 -54.4 26.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 72.54 111.165 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.446 HG12 ' O ' ' A' ' 41' ' ' LEU . 10.2 p -50.32 -30.57 7.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 53.02 111.167 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -84.15 -40.05 18.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 73.24 110.898 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.632 HD13 ' CD2' ' A' ' 19' ' ' LEU . 6.9 mt -66.09 -56.4 11.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 74.4 110.922 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 33.8 mtm -59.77 -32.92 71.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 51.31 110.913 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.499 ' CE ' HG13 ' A' ' 52' ' ' VAL . 10.2 tpt -52.81 -35.64 57.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 63.05 110.897 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.407 ' HA ' HG22 ' A' ' 52' ' ' VAL . . . -56.75 -33.45 66.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 71.23 111.135 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.526 HD11 ' HB2' ' A' ' 18' ' ' LYS . 38.8 mm -60.91 -23.96 31.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 72.35 111.15 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.463 ' HG2' HD13 ' A' ' 58' ' ' ILE . 9.9 mt-10 -81.66 -50.36 9.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 61.12 110.902 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.499 HG13 ' CE ' ' A' ' 48' ' ' MET . 15.6 m -71.94 -16.17 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 64.32 111.102 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -85.43 -55.04 4.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 72.44 110.942 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -76.78 -25.27 53.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 74.4 110.879 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.77 18.67 59.46 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.738 . . . . 71.54 112.519 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 15.8 pt -113.04 -178.29 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.853 0.359 . . . . 62.35 111.127 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.506 ' C ' HD12 ' A' ' 58' ' ' ILE . 23.6 m-20 -118.34 144.71 45.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 74.35 110.867 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.506 HD12 ' C ' ' A' ' 57' ' ' ASP . 5.3 mp -144.6 95.49 5.36 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.625 0.726 . . . . 73.33 111.108 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 163.68 37.4 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.665 2.243 . . . . 61.25 112.358 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.481 ' HA ' ' HB2' ' A' ' 63' ' ' ALA . 4.4 m-20 -51.43 -36.21 42.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.205 -0.452 . . . . 72.34 110.872 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -58.49 -35.54 72.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 72.51 110.83 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -106.02 11.9 31.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 74.25 110.858 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.481 ' HB2' ' HA ' ' A' ' 60' ' ' ASP . . . -60.99 -27.53 68.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 71.01 111.117 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.4 p -101.18 17.43 22.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 73.12 111.11 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.12 3.42 20.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 51.11 110.885 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.645 ' O ' HG22 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -144.0 14.2 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 72.51 111.123 179.83 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.05 -52.48 16.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 73.25 110.929 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.774 ' O ' HG23 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -79.93 146.47 32.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 73.32 111.163 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.698 HG13 HG21 ' A' ' 11' ' ' VAL . 26.2 t -53.66 -28.44 16.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 73.32 111.154 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.5 p -78.95 -33.51 45.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 70.34 110.831 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -82.85 -22.78 33.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 74.4 110.822 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.774 HG23 ' O ' ' A' ' 68' ' ' THR . 95.5 t -61.28 -66.31 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 70.21 111.089 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.814 HD12 HG22 ' A' ' 7' ' ' ILE . 32.7 mm -67.08 -23.9 31.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 73.14 111.143 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.88 -54.33 16.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 74.34 110.929 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.409 ' HB3' HG22 ' A' ' 66' ' ' ILE . 68.0 t80 -75.54 -54.25 7.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 74.45 110.945 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.499 HD12 ' CG1' ' A' ' 72' ' ' VAL . 70.3 mt -48.89 -28.76 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 45.23 111.166 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 51.9 tttt -61.71 -66.33 0.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 62.03 110.889 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -60.58 -26.87 67.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 61.44 110.873 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.22 -34.62 66.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 73.22 110.853 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 41.3 mm-40 -65.31 145.13 56.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 63.51 110.882 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 64.42 110.866 -179.829 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.1 mtt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.767 0.318 . . . . 64.32 110.875 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -124.35 86.2 2.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 75.03 110.836 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 m -106.42 -43.71 4.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.103 -0.499 . . . . 54.4 111.156 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.957 HG23 HD12 ' A' ' 7' ' ' ILE . 28.6 m -110.46 -23.22 11.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 63.11 111.157 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -51.62 -41.34 61.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 74.41 110.871 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.76 -39.91 74.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 73.21 110.923 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.957 HD12 HG23 ' A' ' 4' ' ' THR . 70.2 mt -54.02 -35.54 28.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 74.23 111.127 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.466 ' O ' HG12 ' A' ' 11' ' ' VAL . 35.6 tt0 -52.67 -53.01 53.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 54.23 110.895 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.632 ' O ' HG22 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -82.16 -20.06 38.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 63.13 110.947 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -78.84 -4.72 50.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 72.22 110.864 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.595 ' HB ' HD11 ' A' ' 73' ' ' ILE . 7.3 p -66.58 -29.66 47.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 70.45 111.115 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.633 HG13 HG21 ' A' ' 26' ' ' ILE . 4.1 tt -71.8 -37.25 61.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 60.33 111.179 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -74.04 -22.94 59.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 73.31 110.917 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.565 ' CE ' HD13 ' A' ' 50' ' ' ILE . 7.8 tpt -74.71 -62.62 1.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 64.44 110.869 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.5 t -53.58 -39.52 37.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 63.22 111.172 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.444 ' HB2' HD11 ' A' ' 26' ' ' ILE . . . -59.22 -23.32 62.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 64.22 111.134 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -103.44 -23.17 13.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 73.35 110.852 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.761 ' HB2' HD11 ' A' ' 50' ' ' ILE . 6.4 tmtm? -61.73 -57.31 12.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 74.44 110.879 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.639 HD22 HD13 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -115.8 20.82 14.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 75.55 110.885 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 54.6 62.8 2.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 65.4 110.887 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.7 126.22 54.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 73.13 110.946 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.548 ' CB ' HD12 ' A' ' 25' ' ' ILE . 6.4 t70 -58.81 151.8 20.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.437 . . . . 64.53 110.896 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.9 -19.3 50.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 74.22 110.86 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.66 1.58 54.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.416 . . . . 73.21 111.098 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.548 HD12 ' CB ' ' A' ' 22' ' ' ASP . 9.3 mt -117.94 -21.36 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 65.2 111.108 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.633 HG21 HG13 ' A' ' 12' ' ' ILE . 33.1 mm -50.69 111.43 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 62.51 111.117 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 12.9 p -115.63 162.02 17.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 62.13 111.159 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 72.4 p -69.98 -28.41 65.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 72.42 111.127 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.469 ' O ' HG22 ' A' ' 68' ' ' THR . 28.0 m-20 -79.84 -22.6 42.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 70.21 110.866 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.477 ' OG ' HG23 ' A' ' 69' ' ' VAL . 1.2 m 52.28 69.21 0.7 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 65.35 110.826 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 50.0 mtp180 -99.46 33.24 2.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.053 -0.521 . . . . 74.22 110.897 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -51.35 -32.55 26.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 71.41 110.858 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.475 HD12 ' HB3' ' A' ' 38' ' ' ALA . 5.4 tp -55.84 -42.87 72.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 65.41 111.091 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.419 ' N ' HG23 ' A' ' 33' ' ' ILE . 57.6 tt0 -91.06 -57.15 2.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 71.43 110.905 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -52.91 -55.63 21.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 64.34 110.885 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.12 -5.24 58.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 72.14 110.893 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp 51.14 56.71 7.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 63.43 110.898 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.475 ' HB3' HD12 ' A' ' 33' ' ' ILE . . . -62.92 156.17 25.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 62.31 111.118 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -100.87 175.81 5.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 73.34 110.837 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.1 t -79.89 -54.63 5.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 73.33 110.888 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -68.36 -22.12 64.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 71.32 110.921 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -76.69 -47.28 22.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 72.13 110.845 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -54.52 -26.16 30.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 74.54 111.1 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 46.8 t -59.5 -48.78 86.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 62.15 111.121 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -83.55 -34.81 25.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 71.52 110.916 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.639 HD13 HD22 ' A' ' 19' ' ' LEU . 89.9 mt -64.0 -57.92 8.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 62.23 110.922 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 37.8 mtm -58.44 -24.03 59.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 63.21 110.868 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.42 ' CE ' HG13 ' A' ' 52' ' ' VAL . 9.6 tpt -71.5 -35.8 70.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.424 . . . . 74.33 110.874 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.427 ' HA ' HG22 ' A' ' 52' ' ' VAL . . . -55.26 -33.75 63.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 72.45 111.1 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.761 HD11 ' HB2' ' A' ' 18' ' ' LYS . 38.0 mm -61.84 -23.44 31.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 70.42 111.097 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -81.89 -48.02 12.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 62.32 110.856 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.427 HG22 ' HA ' ' A' ' 49' ' ' ALA . 16.0 m -74.43 -16.98 16.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 62.53 111.126 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -82.2 -55.14 4.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 71.44 110.879 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.434 ' CE1' HG23 ' A' ' 7' ' ' ILE . 4.5 m-85 -80.08 -25.13 40.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 73.34 110.929 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 89.4 29.87 15.53 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.71 -0.757 . . . . 65.42 112.482 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.638 ' CD1' HD11 ' A' ' 58' ' ' ILE . 16.7 pt -132.05 -177.75 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.817 0.341 . . . . 70.41 111.098 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -122.61 139.39 53.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 63.42 110.84 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.666 HG21 ' CD1' ' A' ' 66' ' ' ILE . 4.7 mp -141.14 95.43 7.48 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.654 0.74 . . . . 74.31 111.162 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 58' ' ' ILE . 53.9 Cg_endo -69.7 163.7 37.23 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.7 2.267 . . . . 72.43 112.347 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.422 ' HA ' ' HB2' ' A' ' 63' ' ' ALA . 8.0 m-20 -51.59 -30.79 22.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 65.52 110.825 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -63.54 -37.12 86.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.472 . . . . 74.13 110.897 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -105.15 11.9 32.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 75.05 110.884 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.422 ' HB2' ' HA ' ' A' ' 60' ' ' ASP . . . -57.81 -22.71 48.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 72.12 111.147 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 16.9 p -96.15 -8.28 33.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 62.41 111.138 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.82 -7.55 59.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 53.24 110.87 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.666 ' CD1' HG21 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -144.04 15.44 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 74.23 111.159 179.862 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.1 tttm -70.32 -45.91 65.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 72.5 110.909 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.773 ' O ' HG23 ' A' ' 72' ' ' VAL . 0.4 OUTLIER -89.57 146.41 24.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 71.22 111.149 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.479 HG13 ' CG2' ' A' ' 11' ' ' VAL . 93.4 t -54.31 -26.18 15.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 62.32 111.129 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.8 t -79.96 -34.7 38.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 64.54 110.875 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -83.07 -22.48 33.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 74.25 110.867 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.773 HG23 ' O ' ' A' ' 68' ' ' THR . 80.6 t -60.24 -65.97 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 73.03 111.123 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.784 HD12 HG22 ' A' ' 7' ' ' ILE . 25.2 mm -68.28 -24.78 30.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.464 . . . . 55.13 111.114 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? -70.43 -46.56 63.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 70.01 110.88 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -82.48 -56.28 3.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 71.24 110.911 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.466 HD12 ' CG1' ' A' ' 72' ' ' VAL . 64.7 mt -48.07 -31.39 2.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 73.21 111.129 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.2 tttt -51.91 -66.91 0.3 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 73.33 110.922 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -67.67 -20.4 65.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.439 . . . . 73.54 110.884 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.14 -28.39 62.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 72.4 110.859 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -62.81 124.07 20.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 71.2 110.906 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 43.2 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 70.01 110.839 -179.823 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.755 0.312 . . . . 73.05 110.893 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.4 t -101.91 -51.69 3.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 71.14 110.848 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.5 p -71.79 145.8 48.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.486 . . . . 73.54 111.176 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 1.098 HG23 HD12 ' A' ' 7' ' ' ILE . 40.0 m -77.02 90.13 3.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 75.04 111.109 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -136.03 -54.0 0.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 73.54 110.861 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -56.46 -25.57 51.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 72.44 110.903 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 1.098 HD12 HG23 ' A' ' 4' ' ' THR . 45.2 mt -60.87 -31.84 50.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 70.32 111.125 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -58.01 -38.75 76.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 74.13 110.894 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.714 ' O ' HG22 ' A' ' 12' ' ' ILE . 9.9 mt-30 -91.97 -28.56 17.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 73.04 110.875 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.1 ttmt -65.11 -17.55 64.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 64.11 110.897 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.731 HG21 HG13 ' A' ' 69' ' ' VAL . 10.8 p -51.41 -30.22 10.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 75.2 111.116 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.714 HG22 ' O ' ' A' ' 9' ' ' GLN . 4.5 tt -64.93 -38.69 83.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 63.14 111.095 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -74.3 -22.77 59.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 73.13 110.893 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.602 ' CE ' HD13 ' A' ' 50' ' ' ILE . 8.2 tpt -81.08 -62.12 1.76 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 64.1 110.859 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.536 HG21 HG22 ' A' ' 69' ' ' VAL . 57.8 t -56.42 -24.51 18.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 65.35 111.136 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.81 -23.28 55.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 74.33 111.098 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -104.25 -17.25 14.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 72.45 110.875 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.756 ' HB2' HD11 ' A' ' 50' ' ' ILE . 0.7 OUTLIER -68.76 -57.84 5.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 65.13 110.925 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.714 HD21 HD13 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -115.96 20.73 14.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.283 -0.417 . . . . 65.32 110.925 179.891 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 54.9 52.83 11.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 64.32 110.894 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.39 120.96 39.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 74.24 110.904 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.491 ' HB3' HD12 ' A' ' 25' ' ' ILE . 0.7 OUTLIER -62.81 154.42 29.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 70.13 110.899 179.892 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.4 ptmm? -57.72 -22.94 49.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 74.21 110.934 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.88 -6.34 52.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 60.53 111.098 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.491 HD12 ' HB3' ' A' ' 22' ' ' ASP . 4.5 mp -117.13 -23.19 4.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 62.41 111.152 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.684 HG21 HG13 ' A' ' 12' ' ' ILE . 43.9 mm -49.88 104.33 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.476 . . . . 74.11 111.076 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.404 HG23 ' O ' ' A' ' 25' ' ' ILE . 37.2 p -129.44 148.49 51.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 54.31 111.192 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 48.5 p -55.17 -25.96 35.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.432 . . . . 63.54 111.144 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -118.47 28.9 8.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 73.11 110.898 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.76 108.44 0.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 65.22 110.849 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 -102.21 49.23 0.86 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 74.41 110.864 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -50.83 -31.88 18.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 73.34 110.889 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.416 HG23 ' N ' ' A' ' 34' ' ' GLU . 5.5 tp -55.87 -42.23 69.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 72.24 111.104 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.416 ' N ' HG23 ' A' ' 33' ' ' ILE . 10.8 mt-10 -90.82 -57.19 2.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 70.55 110.886 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -52.45 -55.56 21.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 62.4 110.907 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.618 ' O ' HD23 ' A' ' 36' ' ' LEU . 1.3 tt -81.79 -6.55 59.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 74.21 110.898 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp 50.93 54.5 11.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 72.32 110.881 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.03 126.88 28.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 62.23 111.127 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -55.51 176.07 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 54.13 110.895 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.8 t -98.28 -26.63 14.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 43.01 110.889 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.622 ' O ' HG22 ' A' ' 44' ' ' VAL . 2.1 pt? -80.89 -30.15 35.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 75.14 110.949 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -81.86 -34.53 30.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.483 . . . . 55.24 110.883 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.755 ' HA ' HD12 ' A' ' 46' ' ' LEU . 0.7 OUTLIER -50.87 -48.98 60.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 73.44 111.161 -179.839 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.622 HG22 ' O ' ' A' ' 41' ' ' LEU . 17.7 m -50.02 -31.71 7.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 75.52 111.133 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -84.61 -41.44 16.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.136 -0.484 . . . . 73.51 110.87 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.755 HD12 ' HA ' ' A' ' 43' ' ' THR . 3.5 mt -62.91 -53.64 51.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.466 . . . . 75.33 110.939 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 29.4 mtm -62.05 -35.3 78.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 74.14 110.868 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.55 ' CE ' HG13 ' A' ' 52' ' ' VAL . 9.8 tpt -52.1 -41.57 62.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 72.24 110.884 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.17 -34.26 60.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 53.31 111.139 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.756 HD11 ' HB2' ' A' ' 18' ' ' LYS . 42.1 mm -62.73 -23.26 32.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 74.43 111.088 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.691 ' OE1' HD13 ' A' ' 58' ' ' ILE . 3.0 mm-40 -81.65 -45.21 16.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 71.32 110.919 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.55 HG13 ' CE ' ' A' ' 48' ' ' MET . 15.4 m -77.6 -16.07 14.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 72.1 111.136 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -84.48 -55.08 4.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 65.1 110.9 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -82.8 -25.13 33.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 72.23 110.896 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 73.69 38.04 51.11 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.773 -0.727 . . . . 71.12 112.493 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.599 ' CD1' HD11 ' A' ' 58' ' ' ILE . 11.2 pt -120.33 179.68 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.878 0.37 . . . . 75.13 111.082 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.509 ' C ' HD12 ' A' ' 58' ' ' ILE . 22.6 t0 -115.33 135.03 54.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 51.04 110.853 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.691 HD13 ' OE1' ' A' ' 51' ' ' GLU . 5.3 mp -144.88 95.52 5.22 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.631 0.729 . . . . 74.33 111.118 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 163.71 37.28 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.677 2.252 . . . . 63.52 112.357 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.477 ' HA ' ' HB2' ' A' ' 63' ' ' ALA . 43.6 t0 -51.4 -33.93 32.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 64.24 110.901 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -60.53 -36.37 78.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 73.35 110.846 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -106.07 11.85 31.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 75.13 110.898 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.477 ' HB2' ' HA ' ' A' ' 60' ' ' ASP . . . -59.39 -22.14 60.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 62.03 111.079 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 10.2 t -106.82 13.12 28.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 52.12 111.14 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -103.42 2.93 34.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 72.41 110.891 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.585 ' O ' HG22 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -143.7 13.27 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 74.23 111.173 179.886 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.1 ttpt -72.32 -53.37 12.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 71.41 110.896 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.764 ' O ' HG23 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -78.77 146.89 33.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 70.23 111.153 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.731 HG13 HG21 ' A' ' 11' ' ' VAL . 27.7 t -55.1 -27.01 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 52.23 111.142 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 27.2 t -77.48 -36.23 52.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 72.24 110.857 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.86 -21.73 34.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 71.25 110.869 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.764 HG23 ' O ' ' A' ' 68' ' ' THR . 75.5 t -60.61 -66.13 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 53.55 111.138 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.769 HD12 HG22 ' A' ' 7' ' ' ILE . 46.9 mm -68.58 -24.52 29.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 65.1 111.126 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.95 -46.74 61.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 71.2 110.932 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.402 ' HB3' HG22 ' A' ' 66' ' ' ILE . 55.6 t80 -80.26 -57.47 3.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 75.42 110.897 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 53.3 mt -50.44 -25.96 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 72.11 111.17 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.3 ttpt -50.07 -61.64 2.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 73.45 110.874 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -76.38 -16.24 59.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 55.31 110.9 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.14 -36.57 66.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 55.12 110.862 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -62.37 135.26 57.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 72.45 110.919 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.6 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 73.44 110.873 -179.847 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.3 ptm . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.825 0.345 . . . . 72.25 110.862 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.3 p -107.83 79.46 1.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 65.01 110.861 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.5 p -115.98 136.02 53.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 53.21 111.154 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.767 HG23 HD12 ' A' ' 7' ' ' ILE . 5.8 m 57.28 49.11 13.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 75.5 111.112 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -117.91 -34.89 4.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.44 . . . . 70.43 110.836 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -80.37 -14.63 58.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 73.25 110.935 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.767 HD12 HG23 ' A' ' 4' ' ' THR . 17.8 mt -72.0 -29.98 35.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 73.44 111.147 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.601 ' O ' HG12 ' A' ' 11' ' ' VAL . 18.6 tt0 -66.35 -39.41 89.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 74.11 110.875 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.552 ' O ' HG22 ' A' ' 12' ' ' ILE . 23.1 tt0 -88.87 -19.91 25.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 73.24 110.926 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -87.18 -22.1 25.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 74.03 110.924 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.601 HG12 ' O ' ' A' ' 8' ' ' GLU . 7.8 p -54.03 -29.95 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 74.41 111.173 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.704 HG13 HG21 ' A' ' 26' ' ' ILE . 4.6 tt -56.09 -40.38 63.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.486 . . . . 74.34 111.162 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -77.88 -24.36 48.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.149 -0.478 . . . . 73.11 110.898 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.61 ' CE ' HD13 ' A' ' 50' ' ' ILE . 8.0 tpt -71.63 -62.39 1.43 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 74.23 110.928 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 97.6 t -56.72 -24.17 18.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.461 . . . . 73.44 111.137 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.428 ' HB2' HD11 ' A' ' 26' ' ' ILE . . . -76.03 -23.56 55.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 73.43 111.083 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -104.1 -17.39 14.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 43.51 110.879 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.715 ' HB2' HD11 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -69.18 -57.46 5.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 73.44 110.895 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.775 HD12 HD22 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -115.84 20.66 14.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 63.51 110.908 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 55.4 62.94 2.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 73.03 110.907 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.36 120.81 43.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 63.43 110.88 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -56.8 155.39 7.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 73.34 110.83 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -55.75 -33.56 64.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 71.14 110.923 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.89 -19.27 61.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 73.21 111.079 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.604 ' O ' HG22 ' A' ' 27' ' ' THR . 13.2 mm -92.43 -26.87 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 52.11 111.124 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.704 HG21 HG13 ' A' ' 12' ' ' ILE . 45.8 mm -51.0 116.45 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 74.12 111.152 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.604 HG22 ' O ' ' A' ' 25' ' ' ILE . 1.7 t -153.17 158.44 41.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 63.42 111.173 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.0 t -71.27 -11.26 60.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 35.04 111.134 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -117.03 22.72 12.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 61.11 110.845 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.429 ' N ' HG23 ' A' ' 27' ' ' THR . 1.2 p -56.92 129.46 41.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 70.51 110.844 -179.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -120.74 47.41 1.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.495 . . . . 72.42 110.885 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -49.94 -32.97 16.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 71.34 110.903 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.502 ' HA ' ' HB3' ' A' ' 38' ' ' ALA . 5.4 tp -56.01 -43.95 76.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 72.01 111.116 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.427 ' N ' HG23 ' A' ' 33' ' ' ILE . 7.3 tp10 -91.25 -57.2 2.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 75.14 110.92 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -53.35 -55.6 23.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.141 -0.481 . . . . 72.43 110.873 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.775 HD22 HD12 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -83.3 -2.31 55.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 53.23 110.891 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 51.03 51.06 17.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 74.02 110.883 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.502 ' HB3' ' HA ' ' A' ' 33' ' ' ILE . . . -62.23 109.46 1.33 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 71.1 111.09 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -65.86 160.14 23.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 65.32 110.868 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.741 ' O ' HG23 ' A' ' 44' ' ' VAL . 40.2 t -65.73 -56.14 13.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 73.22 110.852 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -57.65 -27.41 62.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 74.12 110.913 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -80.22 -48.48 13.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 72.04 110.856 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.438 HG23 ' HB1' ' A' ' 38' ' ' ALA . 1.4 p -56.54 -25.54 52.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.462 . . . . 74.22 111.139 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.741 HG23 ' O ' ' A' ' 40' ' ' SER . 63.1 t -60.08 -48.59 87.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 72.33 111.071 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -83.12 -34.44 26.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 72.15 110.86 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 89.6 mt -64.28 -56.84 11.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 74.12 110.944 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 63.6 mtm -63.59 -31.23 72.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 74.02 110.907 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.426 ' HE3' HG13 ' A' ' 52' ' ' VAL . 9.0 tpt -52.02 -36.59 50.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 41.1 110.85 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.424 ' HA ' HG22 ' A' ' 52' ' ' VAL . . . -54.78 -30.05 55.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 62.25 111.086 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.715 HD11 ' HB2' ' A' ' 18' ' ' LYS . 43.2 mm -64.55 -23.18 32.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 70.0 111.145 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -82.46 -46.16 13.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 55.43 110.852 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.426 HG13 ' HE3' ' A' ' 48' ' ' MET . 16.5 m -76.2 -18.51 15.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.476 . . . . 71.53 111.146 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -81.29 -54.91 5.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 74.51 110.899 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -80.92 -25.23 37.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 75.13 110.953 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 88.65 27.4 24.62 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 63.12 112.507 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.496 ' CD1' HD11 ' A' ' 58' ' ' ILE . 19.8 pt -125.48 -178.35 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.803 0.335 . . . . 72.11 111.151 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -119.33 137.0 54.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.461 . . . . 72.03 110.878 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.496 HD11 ' CD1' ' A' ' 56' ' ' ILE . 5.0 mp -142.79 95.98 6.19 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.62 0.724 . . . . 64.11 111.141 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 58' ' ' ILE . 54.1 Cg_endo -69.74 163.91 36.5 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.673 2.249 . . . . 73.32 112.375 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.456 ' HA ' ' HB2' ' A' ' 63' ' ' ALA . 1.9 m-20 -50.28 -38.31 40.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.284 -0.417 . . . . 61.44 110.898 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -56.34 -37.89 70.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 73.15 110.867 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -106.04 12.23 30.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 75.4 110.941 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.456 ' HB2' ' HA ' ' A' ' 60' ' ' ASP . . . -68.07 -11.96 59.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 15.44 111.143 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 38.3 p -106.39 -7.69 17.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.199 -0.455 . . . . 65.22 111.148 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 50.8 mmtt -88.1 6.4 36.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 70.33 110.9 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.631 ' O ' HG22 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -144.39 14.3 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 73.05 111.146 179.869 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.15 -50.51 32.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 64.33 110.894 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.766 ' O ' HG23 ' A' ' 72' ' ' VAL . 0.8 OUTLIER -83.55 146.68 28.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 74.34 111.171 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.5 t -53.58 -30.06 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 70.22 111.126 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.0 t -77.95 -32.22 51.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 64.44 110.843 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.15 -23.97 32.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.144 -0.48 . . . . 74.12 110.855 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.766 HG23 ' O ' ' A' ' 68' ' ' THR . 86.7 t -61.11 -65.93 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 73.23 111.078 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.567 ' CD1' HG22 ' A' ' 7' ' ' ILE . 27.0 mm -66.62 -24.13 32.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 53.4 111.15 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.08 -50.78 37.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 71.44 110.866 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -78.87 -55.14 5.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 73.12 110.897 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.507 HD12 ' CG1' ' A' ' 72' ' ' VAL . 60.6 mt -49.79 -28.12 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.48 . . . . 75.32 111.129 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.8 ttpt -53.06 -66.54 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 73.12 110.914 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -68.28 -19.82 64.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 73.23 110.873 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.02 -33.33 65.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 74.32 110.897 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 38.3 mm-40 -62.56 129.03 38.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 71.32 110.93 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.4 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 64.11 110.841 -179.797 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.82 0.343 . . . . 75.54 110.837 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 p -122.03 148.62 44.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 61.44 110.906 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.8 t -124.1 31.33 5.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 73.02 111.159 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 1.094 HG23 HD12 ' A' ' 7' ' ' ILE . 3.6 m 59.15 40.5 21.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 71.02 111.141 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -100.29 -41.15 7.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 75.41 110.861 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.65 -32.84 73.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 45.43 110.934 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 1.094 HD12 HG23 ' A' ' 4' ' ' THR . 67.7 mt -57.99 -32.93 44.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 70.13 111.136 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.47 ' O ' HG12 ' A' ' 11' ' ' VAL . 4.0 tm-20 -54.52 -49.76 69.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 63.25 110.866 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.623 ' O ' HG22 ' A' ' 12' ' ' ILE . 4.0 tp60 -86.5 -20.08 28.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 63.4 110.933 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.4 ttmm -77.02 -4.94 46.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 54.45 110.917 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.977 HG21 HG13 ' A' ' 69' ' ' VAL . 14.2 p -66.18 -32.09 56.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 74.12 111.159 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.623 HG22 ' O ' ' A' ' 9' ' ' GLN . 4.2 tt -67.88 -37.54 78.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 72.1 111.131 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -73.88 -22.13 59.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 63.41 110.897 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.583 ' CE ' HD13 ' A' ' 50' ' ' ILE . 7.2 tpt -80.77 -62.58 1.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 75.35 110.839 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 57.7 t -56.08 -24.7 18.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.27 -0.423 . . . . 73.2 111.164 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.85 -23.41 61.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 74.45 111.098 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -105.24 -28.91 10.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 74.53 110.926 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.607 ' HB2' HD11 ' A' ' 50' ' ' ILE . 0.7 OUTLIER -55.56 -57.27 12.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.457 . . . . 75.31 110.913 179.927 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.738 HD12 HD23 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -115.61 20.57 14.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 64.54 110.885 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 52.63 64.57 1.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 52.24 110.898 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -112.01 125.25 53.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 75.54 110.896 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.677 ' CB ' HD12 ' A' ' 25' ' ' ILE . 1.6 t70 -56.04 147.8 19.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.433 . . . . 73.3 110.885 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.16 -24.3 62.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 65.13 110.88 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.94 0.1 46.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.421 . . . . 73.54 111.08 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.677 HD12 ' CB ' ' A' ' 22' ' ' ASP . 8.6 mt -117.17 -21.96 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 75.5 111.123 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.532 HG21 HG13 ' A' ' 12' ' ' ILE . 49.1 mm -50.46 121.74 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 64.35 111.116 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -148.96 145.62 27.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 71.21 111.098 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.5 t -53.58 -35.91 61.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 74.1 111.163 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -99.77 25.58 7.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 74.11 110.859 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 m -55.56 124.92 18.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 72.51 110.874 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.21 48.73 0.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 75.24 110.897 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -50.14 -33.23 18.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 63.22 110.828 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.472 HD12 ' HB3' ' A' ' 38' ' ' ALA . 5.4 tp -55.47 -43.9 73.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 62.21 111.098 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.431 ' N ' HG23 ' A' ' 33' ' ' ILE . 18.3 tp10 -91.45 -57.25 2.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 54.42 110.883 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -52.96 -55.78 20.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 74.25 110.882 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.738 HD23 HD12 ' A' ' 19' ' ' LEU . 1.4 tp -82.04 -5.23 58.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 44.35 110.89 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.8 mmtm 51.03 62.51 2.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 63.51 110.87 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.472 ' HB3' HD12 ' A' ' 33' ' ' ILE . . . -69.96 110.01 4.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 33.05 111.117 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -51.97 169.45 0.07 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 61.13 110.863 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 50.8 m -76.43 -38.33 55.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 43.01 110.826 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.529 HD12 ' N ' ' A' ' 42' ' ' ASP . 0.3 OUTLIER -81.5 -10.51 59.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 73.3 110.929 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.529 ' N ' HD12 ' A' ' 41' ' ' LEU . 22.1 m-20 -80.74 -46.52 15.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 74.0 110.902 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -53.94 -27.63 32.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 72.35 111.096 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 48.2 t -52.72 -58.39 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.42 . . . . 61.33 111.158 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -81.94 -41.84 20.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 70.11 110.87 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.578 HD13 HD22 ' A' ' 19' ' ' LEU . 68.7 mt -52.08 -57.73 8.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 64.52 110.862 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 35.0 mtm -65.72 -34.73 78.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 74.01 110.832 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 10.9 tpt -55.7 -31.88 62.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 23.54 110.859 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.432 ' HA ' HG22 ' A' ' 52' ' ' VAL . . . -60.16 -18.9 51.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 65.24 111.147 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.607 HD11 ' HB2' ' A' ' 18' ' ' LYS . 41.5 mm -78.53 -23.82 13.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 75.31 111.125 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -83.69 -39.92 19.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 75.53 110.905 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.432 HG22 ' HA ' ' A' ' 49' ' ' ALA . 16.4 m -75.08 -21.58 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 60.13 111.179 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -84.93 -55.08 4.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 72.21 110.894 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -76.49 -24.52 53.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 74.42 110.959 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 70.87 38.25 65.39 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.733 -0.746 . . . . 75.12 112.532 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.494 ' CD1' HD11 ' A' ' 58' ' ' ILE . 14.7 pt -127.8 156.02 39.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.837 0.351 . . . . 74.14 111.151 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -85.07 117.96 24.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 65.23 110.894 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.494 HD11 ' CD1' ' A' ' 56' ' ' ILE . 72.7 mt -138.2 95.42 10.53 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.661 0.743 . . . . 72.35 111.127 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 164.11 35.79 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.655 2.237 . . . . 75.3 112.361 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.464 ' HA ' ' HB2' ' A' ' 63' ' ' ALA . 73.2 m-20 -50.47 -38.69 45.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 61.33 110.826 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -55.48 -36.33 66.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 74.01 110.838 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -106.01 12.11 30.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 64.34 110.873 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.464 ' HB2' ' HA ' ' A' ' 60' ' ' ASP . . . -69.15 -11.06 60.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 52.22 111.112 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 65.3 p -105.15 -9.78 17.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 63.51 111.124 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 26.1 mttt -85.57 4.43 36.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 65.32 110.942 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.496 HG22 ' HB3' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -143.55 14.27 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 73.43 111.103 179.856 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 34.6 tttt -72.16 -45.65 59.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 72.02 110.844 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.505 ' O ' HG12 ' A' ' 72' ' ' VAL . 0.6 OUTLIER -84.68 162.86 19.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 72.43 111.135 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.977 HG13 HG21 ' A' ' 11' ' ' VAL . 58.1 t -66.93 -30.74 50.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 62.14 111.134 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.0 p -82.67 -27.92 30.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 71.53 110.899 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -83.61 -36.68 23.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 73.52 110.89 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.505 HG12 ' O ' ' A' ' 68' ' ' THR . 7.3 p -66.37 -37.93 80.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 74.11 111.146 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.559 ' CD1' HG22 ' A' ' 7' ' ' ILE . 41.8 mm -82.87 -25.85 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 61.5 111.116 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -81.98 -34.58 29.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 75.41 110.902 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.496 ' HB3' HG22 ' A' ' 66' ' ' ILE . 67.7 t80 -82.62 -62.75 1.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 75.34 110.934 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.504 HD12 HG22 ' A' ' 72' ' ' VAL . 60.3 mt -48.2 -32.71 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 72.32 111.112 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt -59.54 -47.99 83.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 75.11 110.931 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -80.1 -22.84 41.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 63.15 110.929 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.14 -46.42 51.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 73.4 110.902 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 44.6 mm-40 -53.13 160.32 1.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 71.12 110.914 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.6 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 73.44 110.888 -179.821 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 mmt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.792 0.329 . . . . 53.41 110.866 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t 60.36 30.97 20.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 74.42 110.835 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.2 t -123.12 167.45 13.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 64.31 111.117 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.822 HG23 HD12 ' A' ' 7' ' ' ILE . 96.1 m -113.37 -25.84 8.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 62.21 111.113 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -53.71 -42.67 68.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 75.04 110.869 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.68 -32.08 65.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 74.55 110.844 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.822 HD12 HG23 ' A' ' 4' ' ' THR . 55.2 mt -60.42 -32.63 51.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 53.24 111.126 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.588 ' HG2' HG21 ' A' ' 73' ' ' ILE . 98.0 mt-10 -56.31 -52.8 63.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 73.32 110.86 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.624 ' O ' HG22 ' A' ' 12' ' ' ILE . 7.0 mm100 -80.43 -22.05 41.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 53.42 110.881 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -75.95 -5.79 47.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 71.4 110.905 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.614 HG21 HG13 ' A' ' 69' ' ' VAL . 7.2 p -64.35 -29.58 47.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 72.2 111.139 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.66 HG13 HG21 ' A' ' 26' ' ' ILE . 4.2 tt -64.67 -39.18 84.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 65.43 111.126 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -78.1 -24.89 47.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 73.52 110.85 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.575 ' CE ' HD13 ' A' ' 50' ' ' ILE . 9.1 tpt -72.56 -62.11 1.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 64.32 110.879 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 94.5 t -56.24 -24.46 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 74.1 111.136 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.426 ' CA ' HD11 ' A' ' 26' ' ' ILE . . . -73.02 -23.57 60.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 70.21 111.102 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -102.84 -32.66 9.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 63.22 110.903 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.673 ' HB2' HD11 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -53.73 -54.06 43.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 64.53 110.922 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.762 HD21 HD13 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -115.76 20.68 14.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 75.24 110.882 179.896 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 43.0 t30 52.23 41.74 30.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 55.22 110.879 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -85.23 126.1 33.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 75.05 110.939 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.648 ' CB ' HD12 ' A' ' 25' ' ' ILE . 4.2 t70 -58.35 150.11 22.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.42 . . . . 43.02 110.899 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.7 ptmm? -58.89 -25.5 63.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 74.11 110.886 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.01 0.69 39.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 63.24 111.101 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.648 HD12 ' CB ' ' A' ' 22' ' ' ASP . 8.5 mt -117.24 -21.68 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 63.03 111.157 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.66 HG21 HG13 ' A' ' 12' ' ' ILE . 34.2 mm -50.44 116.33 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 65.03 111.114 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.7 p -141.77 159.55 41.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 73.54 111.132 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.3 p -64.65 -37.98 89.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.218 -0.446 . . . . 64.25 111.16 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -101.67 29.02 5.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 53.34 110.865 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 90.1 p -51.46 112.0 0.67 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 70.22 110.86 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 30.8 mtt85 -105.67 49.4 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 75.24 110.853 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -49.78 -33.52 16.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 70.2 110.872 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.42 HG23 ' N ' ' A' ' 34' ' ' GLU . 5.3 tp -55.04 -43.9 71.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 64.03 111.132 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.42 ' N ' HG23 ' A' ' 33' ' ' ILE . 11.1 mm-40 -91.27 -57.23 2.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 44.1 110.892 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -52.54 -55.72 20.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 74.44 110.827 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.3 tp -81.13 -7.56 59.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 53.11 110.899 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? 51.16 53.86 12.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 75.01 110.909 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.7 131.9 48.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 60.52 111.11 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -55.88 176.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 43.44 110.9 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 36.9 t -87.37 -40.77 14.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 64.33 110.85 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.544 HD12 ' N ' ' A' ' 42' ' ' ASP . 0.3 OUTLIER -81.59 -11.94 58.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 63.43 110.947 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.544 ' N ' HD12 ' A' ' 41' ' ' LEU . 84.0 m-20 -82.79 -41.7 18.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 74.11 110.901 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.799 ' HA ' HD12 ' A' ' 46' ' ' LEU . 1.9 p -49.83 -53.76 23.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 72.03 111.109 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.449 HG22 ' O ' ' A' ' 41' ' ' LEU . 21.4 m -50.2 -31.44 7.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 72.32 111.147 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -84.49 -38.74 19.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 74.03 110.896 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.799 HD12 ' HA ' ' A' ' 43' ' ' THR . 4.2 mt -66.81 -57.45 7.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 72.23 110.932 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 34.9 mtm -59.16 -31.68 69.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 75.25 110.892 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 10.9 tpt -53.71 -37.03 62.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 74.04 110.868 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.407 ' HA ' HG22 ' A' ' 52' ' ' VAL . . . -57.62 -22.97 48.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 64.42 111.123 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.673 HD11 ' HB2' ' A' ' 18' ' ' LYS . 44.8 mm -71.58 -23.24 22.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 74.02 111.135 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -83.13 -45.56 13.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 73.03 110.872 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.407 HG22 ' HA ' ' A' ' 49' ' ' ALA . 15.8 m -73.64 -17.74 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 54.04 111.149 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -84.65 -55.03 4.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 65.31 110.856 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -77.31 -24.89 50.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 74.43 110.944 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 87.63 24.73 34.95 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.743 -0.741 . . . . 55.32 112.531 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 29.1 pt -120.9 -177.9 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.816 0.341 . . . . 64.41 111.134 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -118.18 140.55 49.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 74.42 110.88 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 60.4 mt -145.51 95.42 4.99 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.627 0.727 . . . . 62.14 111.098 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.86 163.65 37.55 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.671 2.248 . . . . 33.53 112.365 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -51.94 -35.34 45.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 62.11 110.828 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -58.84 -33.1 70.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 74.12 110.905 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -105.54 11.74 32.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 64.23 110.92 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.88 -11.02 60.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 70.25 111.075 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 68.9 p -106.89 15.64 25.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 74.14 111.164 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -119.83 8.58 11.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 54.12 110.928 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.63 ' O ' HG22 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -143.45 13.95 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 73.51 111.111 179.888 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -71.68 -50.6 28.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 72.24 110.849 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.766 ' O ' HG23 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -82.11 146.37 29.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 71.33 111.155 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.614 HG13 HG21 ' A' ' 11' ' ' VAL . 31.2 t -54.32 -27.15 16.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 71.32 111.12 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.5 p -79.82 -33.22 40.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 73.23 110.862 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.17 -22.73 33.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.478 . . . . 42.42 110.867 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.766 HG23 ' O ' ' A' ' 68' ' ' THR . 98.2 t -61.34 -66.44 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 74.24 111.106 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.769 HD12 HG22 ' A' ' 7' ' ' ILE . 35.2 mm -66.83 -24.06 32.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 75.43 111.168 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.7 tmtt? -70.88 -52.92 17.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 73.02 110.857 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -75.66 -55.36 5.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.283 -0.417 . . . . 63.0 110.911 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.485 HD12 ' CG1' ' A' ' 72' ' ' VAL . 68.4 mt -48.77 -29.81 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 72.21 111.131 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 36.0 tttt -58.43 -64.99 0.73 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 72.51 110.922 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -61.89 -23.83 66.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 63.53 110.861 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.11 -43.52 61.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 74.52 110.881 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -57.57 134.61 56.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 74.2 110.899 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.3 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 71.13 110.872 -179.817 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.2 ptt? . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.726 0.298 . . . . 71.31 110.815 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.1 m -90.38 126.2 35.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 71.23 110.861 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 16.4 p -149.26 114.23 5.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 60.23 111.15 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 1.037 HG23 HD12 ' A' ' 7' ' ' ILE . 4.0 m 57.39 43.58 23.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 74.12 111.143 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -107.6 -33.47 7.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.445 . . . . 74.35 110.909 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.17 -22.52 60.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 73.3 110.901 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 1.037 HD12 HG23 ' A' ' 4' ' ' THR . 45.3 mt -66.95 -40.09 84.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 74.33 111.125 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.528 ' O ' HG12 ' A' ' 11' ' ' VAL . 6.0 tp10 -58.2 -37.72 75.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 64.32 110.9 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.624 ' O ' HG22 ' A' ' 12' ' ' ILE . 31.6 tt0 -88.93 -21.05 23.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 64.1 110.912 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -82.82 -19.67 37.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 64.2 110.897 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.698 ' HB ' HD11 ' A' ' 73' ' ' ILE . 10.4 p -51.21 -30.49 10.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 65.1 111.108 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.694 HG13 HG21 ' A' ' 26' ' ' ILE . 4.4 tt -70.56 -37.98 71.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 73.25 111.168 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -73.87 -25.29 59.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 75.12 110.904 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.4 tpt -71.64 -62.45 1.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 75.03 110.836 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.403 HG21 HG22 ' A' ' 69' ' ' VAL . 59.2 t -55.61 -24.53 16.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 53.53 111.147 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.15 -25.15 62.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 35.4 111.122 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -105.46 -24.1 12.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 70.34 110.899 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.476 ' HB2' HD11 ' A' ' 50' ' ' ILE . 8.2 tttm -60.23 -57.94 10.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 70.34 110.907 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.666 ' CD2' HD13 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -116.08 20.7 14.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 72.13 110.906 179.915 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 53.52 58.57 5.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 72.25 110.902 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.803 ' HE3' HD22 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -104.5 121.01 42.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 54.22 110.947 179.88 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -55.92 154.99 6.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 75.24 110.879 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.2 ptpp? -58.62 -29.25 66.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 61.42 110.891 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.8 -3.77 52.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 75.21 111.129 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.9 mm -106.11 -26.95 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 65.34 111.147 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.694 HG21 HG13 ' A' ' 12' ' ' ILE . 43.3 mm -49.53 115.52 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 71.23 111.097 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -136.49 148.27 47.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 62.11 111.139 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 72.7 p -56.97 -44.33 82.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 74.21 111.176 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -103.17 28.82 5.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 65.34 110.887 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.7 t -51.88 134.5 31.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 73.54 110.884 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -122.96 49.46 1.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 73.3 110.866 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -49.73 -33.27 15.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 75.35 110.881 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.566 HD12 ' HB3' ' A' ' 38' ' ' ALA . 5.5 tp -56.52 -42.95 76.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 71.51 111.131 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.43 ' N ' HG23 ' A' ' 33' ' ' ILE . 8.8 tm-20 -91.35 -57.28 2.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 61.43 110.856 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -53.9 -55.85 23.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 73.23 110.863 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.803 HD22 ' HE3' ' A' ' 21' ' ' LYS . 2.6 tp -81.72 -4.56 56.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 71.44 110.903 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.1 mmtt 50.93 58.35 5.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 74.42 110.852 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.566 ' HB3' HD12 ' A' ' 33' ' ' ILE . . . -62.07 120.6 11.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 74.14 111.121 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.429 ' O ' HG23 ' A' ' 43' ' ' THR . 0.3 OUTLIER -51.95 157.67 1.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 41.54 110.893 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.0 t -79.72 -36.8 36.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 74.34 110.88 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.601 HD23 ' H ' ' A' ' 41' ' ' LEU . 1.5 pt? -81.34 -26.21 35.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 74.04 110.882 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -82.2 -36.6 27.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 63.55 110.843 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.467 ' HA ' HD12 ' A' ' 46' ' ' LEU . 0.8 OUTLIER -50.92 -51.03 56.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 75.33 111.163 -179.908 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.575 HG12 ' O ' ' A' ' 41' ' ' LEU . 10.9 p -50.1 -31.18 7.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 52.55 111.197 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -84.51 -37.98 20.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.104 -0.498 . . . . 74.51 110.881 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.666 HD13 ' CD2' ' A' ' 19' ' ' LEU . 15.9 mt -66.93 -53.76 28.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 70.13 110.907 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 28.8 mtm -63.59 -31.06 72.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 74.15 110.894 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.544 ' CE ' HG13 ' A' ' 52' ' ' VAL . 10.4 tpt -51.68 -37.74 51.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 63.13 110.891 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.413 ' HA ' HG22 ' A' ' 52' ' ' VAL . . . -54.75 -31.5 58.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 72.25 111.109 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.476 HD11 ' HB2' ' A' ' 18' ' ' LYS . 39.6 mm -64.66 -23.31 33.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 64.24 111.112 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -81.87 -44.41 16.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 74.02 110.902 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.544 HG13 ' CE ' ' A' ' 48' ' ' MET . 15.8 m -78.39 -17.61 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 72.02 111.083 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -85.66 -55.15 4.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 53.24 110.848 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -82.55 -25.32 33.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.198 -0.456 . . . . 74.11 110.899 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 72.1 51.52 13.87 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.706 -0.759 . . . . 63.22 112.523 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 12.8 pt -138.89 -178.31 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.837 0.351 . . . . 71.41 111.125 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -120.3 138.7 53.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 75.05 110.883 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.8 mp -142.05 95.56 6.81 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.636 0.731 . . . . 73.52 111.17 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 163.94 36.46 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.658 2.239 . . . . 74.23 112.349 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.501 ' HA ' ' HB2' ' A' ' 63' ' ' ALA . 0.6 OUTLIER -50.68 -36.52 36.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 52.23 110.85 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -58.51 -36.93 74.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 73.2 110.855 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -105.89 11.85 31.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 61.43 110.908 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.501 ' HB2' ' HA ' ' A' ' 60' ' ' ASP . . . -54.46 -36.38 64.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 63.13 111.059 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.9 t -96.38 17.56 15.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 73.54 111.123 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -100.98 -2.62 31.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 73.13 110.896 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.626 ' O ' HG22 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -143.65 13.85 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 75.13 111.113 179.899 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.6 tmmm? -71.69 -50.3 31.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 61.35 110.878 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.761 ' O ' HG23 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -82.67 146.69 28.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 64.13 111.186 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.49 HG13 ' CG2' ' A' ' 11' ' ' VAL . 49.3 t -54.05 -28.12 17.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.434 . . . . 71.11 111.121 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.52 -32.58 42.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 60.33 110.835 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -83.07 -23.65 33.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 71.25 110.844 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.761 HG23 ' O ' ' A' ' 68' ' ' THR . 91.4 t -60.82 -65.94 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 75.52 111.152 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.698 HD11 ' HB ' ' A' ' 11' ' ' VAL . 28.3 mm -66.87 -24.76 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 73.31 111.105 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.68 -50.9 39.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 71.31 110.901 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.401 ' HB3' HG22 ' A' ' 66' ' ' ILE . 61.6 t80 -78.44 -55.01 5.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.23 -0.441 . . . . 75.04 110.935 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.504 HD12 ' CG1' ' A' ' 72' ' ' VAL . 64.4 mt -50.56 -27.14 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 74.15 111.124 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.9 tttt -50.96 -63.66 1.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 65.15 110.884 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -72.91 -15.68 61.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.286 -0.416 . . . . 63.32 110.886 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.15 -25.48 60.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 62.43 110.894 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 58.6 mm-40 -87.67 7.17 31.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 44.43 110.947 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 70.43 110.836 -179.778 . . . . . . . . 0 0 . 1 stop_ save_