data_2n1n_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 2n1n _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.924 0.392 . . . . 73.01 110.875 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.0 p -131.16 -176.81 4.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 72.02 110.862 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.63 -155.09 0.15 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.725 -0.75 . . . . 51.2 112.502 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -170.51 172.38 6.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.849 0.357 . . . . 74.02 110.935 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -74.52 142.8 44.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 75.24 110.857 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.6 mtt 62.02 20.78 11.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 74.33 110.89 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.1 m0 -106.09 128.93 54.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 73.15 110.92 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -50.46 149.66 3.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 71.41 110.887 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.0 p -156.59 141.78 17.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 71.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -87.91 -12.25 45.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 74.32 110.879 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -162.52 179.73 7.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 73.25 110.915 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.7 p -78.03 -9.19 59.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 65.11 110.827 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 49.0 m-20 -72.99 -27.69 61.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 72.22 110.88 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -66.87 -28.75 68.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 74.11 110.881 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 88.3 m -61.36 126.96 29.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 65.34 110.911 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.9 t -72.75 -67.06 0.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 75.32 110.875 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -159.33 137.46 10.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 73.25 110.903 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 65.3 19.94 11.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 74.31 110.856 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 mp -122.4 154.02 38.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 74.21 110.888 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.3 m -142.44 128.24 17.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 72.34 111.139 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.3 t -61.17 113.31 2.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 74.43 110.876 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.57 112.61 24.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 73.33 110.847 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.2 p -67.9 -12.75 61.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 60.25 110.853 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 35.7 ttt180 -72.09 -47.11 53.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 75.21 110.849 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.448 ' HB3' ' CE2' ' A' ' 28' ' ' TRP . 13.2 m95 -95.13 -5.41 44.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.236 -0.438 . . . . 74.4 110.935 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.9 mmtp 69.8 25.02 5.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 75.02 110.911 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.448 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.59 168.73 16.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 74.44 110.961 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -70.01 137.14 51.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 74.42 110.879 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.3 m -124.92 154.3 32.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 72.55 111.103 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -55.74 114.41 1.87 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 75.23 110.892 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.43 151.92 3.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 73.11 111.113 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 121.631 0.729 . . . . 72.11 110.887 -179.788 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.865 0.364 . . . . 73.01 110.903 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.0 p -130.15 -176.74 4.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 72.02 110.864 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.72 -155.02 0.15 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.766 -0.731 . . . . 51.2 112.507 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -170.61 172.35 5.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.762 0.315 . . . . 74.02 110.951 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -74.57 142.75 44.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 75.24 110.933 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 4.6 mtt 62.06 20.84 11.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 74.33 110.879 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.1 m0 -106.13 129.17 54.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.452 . . . . 73.15 110.958 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.66 150.31 2.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.273 -0.421 . . . . 71.41 110.874 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.4 p -157.49 142.21 16.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 71.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.3 ptpm? -88.08 -12.63 43.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 74.32 110.869 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -162.1 179.72 7.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 73.25 110.917 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.97 -9.2 58.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 65.11 110.848 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -72.99 -27.65 61.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 72.22 110.88 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -66.86 -28.77 68.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 74.11 110.866 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 89.8 m -61.36 127.55 32.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 65.34 110.902 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.9 t -73.23 -66.85 0.63 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 75.32 110.834 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.44 137.59 10.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 73.25 110.958 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 65.16 19.94 11.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.424 . . . . 74.31 110.898 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 mp -122.45 154.56 37.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.252 -0.431 . . . . 74.21 110.946 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.7 m -142.88 128.25 16.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 72.34 111.08 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.5 t -61.48 113.26 2.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 74.43 110.918 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.63 111.98 23.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 73.33 110.813 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.3 t -66.77 -14.43 62.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 60.25 110.899 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.4 ttt180 -70.24 -48.58 56.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 75.21 110.828 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.45 ' HB3' ' CE2' ' A' ' 28' ' ' TRP . 12.9 m95 -93.79 -5.19 48.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 74.4 110.89 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt 69.59 25.07 5.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 75.02 110.898 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.45 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.63 168.45 16.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 74.44 110.876 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.69 137.34 52.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 74.42 110.859 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.4 m -125.32 154.23 33.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 72.55 111.173 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -55.3 114.31 1.75 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.438 . . . . 75.23 110.964 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.06 138.1 38.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 73.11 111.108 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-O 121.637 0.732 . . . . 72.11 110.901 -179.778 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.844 0.354 . . . . 73.01 110.913 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.2 p -130.87 -176.77 4.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 72.02 110.952 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.81 -154.76 0.15 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.65 -0.786 . . . . 51.2 112.539 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -170.62 172.27 5.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.848 0.356 . . . . 74.02 110.912 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -74.54 142.88 44.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 75.24 110.951 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.2 mtt 61.97 20.98 11.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 74.33 110.93 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.0 m0 -106.25 128.97 54.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 73.15 110.945 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -50.57 148.79 3.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 71.41 110.955 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.5 p -155.29 144.26 20.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 71.0 110.867 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.9 ptpp? -89.96 -13.47 36.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 74.32 110.912 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.8 m-20 -162.13 179.71 7.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 73.25 110.863 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.6 p -77.13 -9.08 58.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 65.11 110.946 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -73.58 -27.99 61.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.06 -0.518 . . . . 72.22 110.855 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.83 -28.03 68.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 74.11 110.845 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 88.0 m -62.57 127.51 31.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 65.34 110.833 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.4 t -72.85 -67.97 0.52 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 75.32 110.893 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 tppt? -158.18 137.41 11.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 73.25 110.94 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 65.19 19.91 11.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.443 . . . . 74.31 110.852 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 mp -122.37 153.24 39.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 74.21 110.89 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.6 m -141.94 128.2 19.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 72.34 111.119 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.3 t -60.85 113.6 2.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 74.43 110.853 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.64 112.73 24.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.482 . . . . 73.33 110.873 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 80.7 p -68.14 -12.62 61.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 60.25 110.874 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.3 ttt85 -72.19 -46.79 54.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 75.21 110.928 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.449 ' HB3' ' CE2' ' A' ' 28' ' ' TRP . 12.9 m95 -95.65 -5.45 42.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 74.4 110.907 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.3 mmtt 69.82 25.07 5.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 75.02 110.883 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.449 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.51 168.36 16.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 74.44 110.912 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.47 137.15 52.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 74.42 110.951 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.6 m -125.29 153.97 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 72.55 111.156 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -55.63 113.47 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 75.23 110.895 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.42 141.99 45.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.119 -0.492 . . . . 73.11 111.126 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 121.704 0.764 . . . . 72.11 110.894 -179.822 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.87 0.367 . . . . 73.01 110.922 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.6 p -130.27 -176.73 4.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 72.02 110.86 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.5 -154.81 0.21 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.749 -0.738 . . . . 51.2 112.479 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -170.5 172.31 6.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.787 0.327 . . . . 74.02 110.912 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -74.52 142.65 44.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 75.24 110.871 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 62.15 21.25 12.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 74.33 110.895 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.1 m0 -106.53 128.99 54.54 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.214 -0.448 . . . . 73.15 110.868 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.55 149.76 3.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 71.41 110.912 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.2 p -156.9 142.25 17.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 71.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.5 mtmm -87.82 -13.78 41.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 74.32 110.863 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -160.94 179.75 8.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.261 -0.427 . . . . 73.25 110.835 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.3 p -78.09 -9.0 58.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 65.11 110.796 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -73.09 -27.9 61.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 72.22 110.858 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -66.87 -27.26 67.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 74.11 110.819 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 89.2 m -62.96 126.7 28.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 65.34 110.879 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.9 t -72.11 -68.46 0.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 75.32 110.881 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.87 137.34 11.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 73.25 110.881 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.8 t70 65.28 20.24 11.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 74.31 110.844 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.1 mp -122.59 153.61 39.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 74.21 110.905 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.7 m -142.33 128.27 17.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 72.34 111.108 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.0 t -60.9 113.3 2.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 74.43 110.911 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.69 112.18 24.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 73.33 110.839 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 93.9 p -67.3 -14.06 62.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 60.25 110.869 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.1 ttt85 -70.61 -47.17 61.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 75.21 110.841 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.45 ' HB3' ' CE2' ' A' ' 28' ' ' TRP . 13.2 m95 -95.31 -5.37 43.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 74.4 110.956 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.1 mmmt 69.65 25.14 5.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 75.02 110.871 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.45 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.62 168.62 16.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 74.44 110.88 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.88 137.33 51.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 74.42 110.85 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.4 m -125.48 154.43 34.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 72.55 111.1 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -55.88 114.25 1.83 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 75.23 110.904 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.52 138.68 56.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 73.11 111.079 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 121.595 0.712 . . . . 72.11 110.885 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.909 0.385 . . . . 73.01 110.912 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.1 p -130.29 -176.71 4.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 72.02 110.9 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.97 -154.89 0.16 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.73 -0.747 . . . . 51.2 112.54 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -170.55 172.41 5.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.813 0.339 . . . . 74.02 110.894 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -74.72 142.93 44.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 75.24 110.887 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 3.3 mtt 61.89 20.83 11.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 74.33 110.922 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.0 m0 -106.03 129.28 54.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.187 -0.46 . . . . 73.15 110.867 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.9 mptt -50.79 150.43 2.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 71.41 110.886 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.5 p -157.48 141.89 16.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 71.0 110.934 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.8 mtmt -88.11 -12.13 45.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 74.32 110.897 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -162.2 179.71 7.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 73.25 110.893 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.2 p -78.41 -9.11 59.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 65.11 110.908 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 56.1 m-20 -73.21 -27.31 61.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.045 -0.525 . . . . 72.22 110.985 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -66.95 -28.63 68.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 74.11 110.833 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 89.1 m -61.51 127.94 33.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 65.34 110.908 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.3 t -73.37 -67.2 0.6 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 75.32 110.926 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -159.09 137.54 10.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 73.25 110.919 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 t70 65.12 20.01 11.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 74.31 110.845 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 mp -122.44 154.29 37.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 74.21 110.859 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.6 m -142.58 128.23 17.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 72.34 111.115 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.6 t -61.38 113.36 2.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 74.43 110.798 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.64 112.01 23.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 73.33 110.868 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.8 t -66.78 -14.86 63.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 60.25 110.862 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 42.7 ttt180 -69.81 -48.85 57.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 75.21 110.898 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.45 ' HB3' ' CE2' ' A' ' 28' ' ' TRP . 13.0 m95 -93.42 -5.16 49.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 74.4 110.921 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.0 mmmm 69.42 25.04 5.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 75.02 110.933 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.45 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.52 168.64 16.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 74.44 110.919 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.87 137.39 51.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 74.42 110.876 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.0 m -125.54 154.23 33.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 72.55 111.127 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -55.23 114.75 1.91 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 75.23 110.882 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.73 157.83 2.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 73.11 111.054 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 121.651 0.739 . . . . 72.11 110.869 -179.874 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.911 0.386 . . . . 73.01 110.897 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.0 p -130.24 -176.78 4.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 72.02 110.913 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.9 -154.74 0.15 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.753 -0.737 . . . . 51.2 112.417 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -170.58 172.31 5.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.817 0.341 . . . . 74.02 110.893 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -74.55 142.82 44.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 75.24 110.966 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.0 mtt 61.97 20.94 11.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 74.33 110.943 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 15.9 m0 -106.18 129.1 54.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 73.15 110.96 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.72 149.91 3.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 71.41 110.836 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.9 p -156.47 144.22 19.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 71.0 110.927 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -90.82 -8.95 48.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 74.32 110.805 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -166.23 179.71 5.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 73.25 110.893 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.83 -9.19 58.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 65.11 110.883 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -73.33 -28.16 61.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 72.22 110.96 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.86 -27.93 67.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.117 -0.492 . . . . 74.11 110.803 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 88.7 m -62.24 128.0 34.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 65.34 110.869 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 25.8 t -73.25 -68.1 0.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 75.32 110.894 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -158.28 137.28 11.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 73.25 110.891 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 65.29 20.23 11.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 74.31 110.836 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 mp -122.52 154.41 37.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 74.21 110.994 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.4 m -142.73 128.33 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 72.34 111.129 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.6 t -61.46 113.26 2.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 74.43 110.911 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.53 111.92 23.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 73.33 110.894 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.8 t -66.89 -13.98 62.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 60.25 110.849 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 46.4 ttt180 -70.71 -48.7 53.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 75.21 110.857 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.449 ' HB3' ' CE2' ' A' ' 28' ' ' TRP . 13.0 m95 -93.57 -5.3 49.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 74.4 110.953 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.5 mmmt 69.71 25.01 5.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 75.02 110.92 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.449 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.56 168.59 16.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.268 -0.423 . . . . 74.44 110.932 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.86 137.25 51.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 74.42 110.876 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.1 m -125.16 154.49 33.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.106 -0.497 . . . . 72.55 111.126 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -55.32 114.38 1.78 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 75.23 110.93 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.07 149.63 27.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 73.11 111.124 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 CA-C-O 121.647 0.737 . . . . 72.11 110.861 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.924 0.393 . . . . 73.01 110.875 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.7 p -129.87 -176.53 3.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 72.02 110.919 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.34 -155.91 0.16 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.762 -0.732 . . . . 51.2 112.53 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -170.44 172.46 6.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.779 0.323 . . . . 74.02 110.964 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -74.61 142.9 44.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.294 -0.412 . . . . 75.24 110.893 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER 61.91 20.83 11.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 74.33 110.874 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 15.8 m0 -106.01 129.1 54.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 73.15 110.87 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -50.7 150.54 2.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 71.41 110.9 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.9 p -157.81 142.21 16.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 71.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -88.36 -12.31 43.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 74.32 110.843 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -162.28 179.73 7.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.205 -0.452 . . . . 73.25 110.895 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.11 -9.21 59.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 65.11 110.822 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -72.86 -27.71 62.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 72.22 110.837 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -66.82 -28.7 68.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 74.11 110.897 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 94.3 m -62.01 127.94 33.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 65.34 110.865 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 21.8 t -73.69 -66.72 0.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 75.32 110.858 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -159.66 138.39 10.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.11 -0.495 . . . . 73.25 110.873 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 33.0 t0 65.0 19.37 11.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 74.31 110.844 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 mp -122.4 155.21 36.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 74.21 110.962 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.6 m -143.8 128.42 14.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 72.34 111.083 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.6 t -61.51 113.49 2.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 74.43 110.854 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.57 112.77 25.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 73.33 110.85 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.3 p -68.02 -12.64 61.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 60.25 110.863 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.3 ttt85 -72.25 -47.28 51.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.13 -0.486 . . . . 75.21 110.878 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.451 ' HB3' ' CE2' ' A' ' 28' ' ' TRP . 13.2 m95 -94.92 -5.48 44.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 74.4 110.902 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.8 mmtt 69.8 25.18 5.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 75.02 110.874 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.451 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.66 168.5 16.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.277 -0.42 . . . . 74.44 110.898 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.72 137.17 51.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 74.42 110.857 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.5 m -125.15 154.67 33.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.096 -0.502 . . . . 72.55 111.129 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -55.64 114.19 1.76 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 75.23 110.87 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.72 126.61 20.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 73.11 111.148 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 C--N 1.33 -0.273 0 CA-C-O 121.585 0.707 . . . . 72.11 110.904 -179.794 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.882 0.372 . . . . 73.01 110.907 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.2 p -130.26 -176.74 4.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 72.02 110.92 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.33 -154.72 0.19 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.697 -0.764 . . . . 51.2 112.501 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -170.53 172.42 5.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.83 0.348 . . . . 74.02 110.9 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -74.52 142.78 44.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 75.24 110.896 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 6.8 mtt 62.02 20.92 11.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 74.33 110.843 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.1 m0 -106.15 129.11 54.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 73.15 110.918 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.65 149.92 3.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.43 . . . . 71.41 110.884 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.5 p -156.91 141.82 17.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 71.0 110.842 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.5 ptpm? -88.03 -12.58 43.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 74.32 110.876 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -161.63 179.88 7.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 73.25 110.861 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.1 p -78.48 -9.17 59.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 65.11 110.828 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -73.33 -27.32 61.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 72.22 110.857 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -66.85 -28.61 68.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.46 . . . . 74.11 110.844 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 89.0 m -61.68 127.52 31.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 65.34 110.857 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.1 t -72.88 -67.28 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 75.32 110.89 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.99 137.3 10.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 73.25 110.889 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 65.19 19.74 11.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 74.31 110.911 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.9 mp -122.27 152.68 39.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 74.21 110.954 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.3 m -141.26 128.21 20.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 72.34 111.083 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.5 t -60.92 113.35 2.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 74.43 110.896 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.53 112.46 24.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 73.33 110.848 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.8 p -67.5 -13.39 62.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 60.25 110.835 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.2 ttt85 -71.37 -47.63 55.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 75.21 110.873 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.449 ' HB3' ' CE2' ' A' ' 28' ' ' TRP . 12.8 m95 -94.74 -5.33 45.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 74.4 110.91 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.3 mmmt 69.72 25.03 5.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 75.02 110.872 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.449 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.62 168.52 16.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.297 -0.41 . . . . 74.44 110.969 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.77 137.34 51.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 74.42 110.857 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.6 m -125.3 153.92 33.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.492 . . . . 72.55 111.156 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -55.82 114.78 2.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 75.23 110.937 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.68 157.29 7.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 73.11 111.141 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 121.66 0.743 . . . . 72.11 110.878 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.883 0.373 . . . . 73.01 110.885 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.3 p -130.52 -176.73 4.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 72.02 110.9 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.27 -154.85 0.19 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.804 -0.712 . . . . 51.2 112.471 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -170.6 172.35 5.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.797 0.332 . . . . 74.02 110.899 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -74.59 142.87 44.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 75.24 110.911 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER 61.88 20.94 11.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 74.33 110.957 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.0 m0 -106.15 129.2 54.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 73.15 110.907 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.1 mptt -50.48 150.75 2.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.293 -0.412 . . . . 71.41 110.941 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.5 p -158.21 143.18 16.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 71.0 110.853 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.92 -13.43 39.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 74.32 110.928 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -161.62 179.46 8.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 73.25 110.887 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.4 p -77.29 -9.12 58.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 65.11 110.817 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -72.55 -28.22 62.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 72.22 110.853 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -66.95 -28.79 68.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 74.11 110.779 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 90.3 m -61.37 126.97 29.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 65.34 110.873 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.9 t -72.84 -66.5 0.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 75.32 110.935 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.99 137.74 9.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 73.25 110.93 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.7 t0 65.17 19.73 11.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 74.31 110.909 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.9 mp -122.27 155.0 36.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 74.21 110.932 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.3 m -143.23 128.17 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 72.34 111.157 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.5 t -61.44 113.24 2.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.5 . . . . 74.43 110.882 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.56 112.72 24.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 73.33 110.888 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.1 t -67.91 -12.78 61.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 60.25 110.916 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 47.9 ttt180 -72.12 -47.21 52.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.049 -0.523 . . . . 75.21 110.854 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.448 ' HB3' ' CE2' ' A' ' 28' ' ' TRP . 13.3 m95 -94.98 -5.34 44.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 74.4 110.924 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.1 mmtp 69.93 25.0 5.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.286 -0.416 . . . . 75.02 110.866 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.448 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.74 168.86 15.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 74.44 110.939 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -70.15 137.1 50.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.288 -0.415 . . . . 74.42 110.852 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.5 m -124.52 154.57 32.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 72.55 111.149 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -55.93 113.97 1.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 75.23 110.999 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.24 130.19 30.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 73.11 111.095 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 121.615 0.721 . . . . 72.11 110.852 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.875 0.369 . . . . 73.01 110.892 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.0 p -131.58 -176.8 4.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 72.02 110.86 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.68 -155.06 0.15 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.757 -0.735 . . . . 51.2 112.53 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -170.53 172.3 6.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.807 0.337 . . . . 74.02 110.849 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -74.58 143.01 44.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.281 -0.418 . . . . 75.24 110.906 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 5.7 mtt 61.87 20.8 11.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 74.33 110.853 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.0 m0 -106.07 129.43 54.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 73.15 110.918 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.1 mptt -50.42 151.14 2.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 71.41 110.911 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.8 p -159.73 146.17 16.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 71.0 110.917 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.5 mmpt? -90.88 -14.73 31.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 74.32 110.932 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -162.81 176.01 10.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 73.25 110.846 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.41 -9.14 58.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 65.11 110.873 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -71.08 -30.69 66.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 72.22 110.917 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.89 -27.88 67.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 74.11 110.881 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 86.0 m -61.62 127.72 32.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 65.34 110.914 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.3 t -73.24 -67.64 0.56 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 75.32 110.867 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.27 137.13 11.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 73.25 110.893 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 65.19 19.81 11.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 74.31 110.922 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 mp -122.48 151.54 41.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 74.21 110.865 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.0 m -140.51 128.06 23.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 72.34 111.161 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.1 t -60.29 113.59 2.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 74.43 110.951 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.59 112.78 25.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 73.33 110.893 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.3 t -68.12 -12.67 61.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.087 -0.506 . . . . 60.25 110.839 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.6 ttt85 -72.18 -47.0 53.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 75.21 110.889 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.451 ' HB3' ' CE2' ' A' ' 28' ' ' TRP . 13.1 m95 -95.37 -5.5 43.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 74.4 110.931 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.0 mmtp 69.83 25.11 5.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 75.02 110.868 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.451 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.66 168.71 16.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 74.44 110.877 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.75 137.21 51.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 74.42 110.858 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 10.8 m -125.75 153.83 34.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 72.55 111.153 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -54.89 112.75 1.11 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.229 -0.441 . . . . 75.23 110.922 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.26 133.85 54.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 73.11 111.175 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 C--N 1.328 -0.352 0 CA-C-O 121.683 0.754 . . . . 72.11 110.834 -179.749 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.851 0.358 . . . . 73.01 110.917 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.2 p -130.93 -176.78 4.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 72.02 110.842 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.06 -154.92 0.17 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.734 -0.746 . . . . 51.2 112.525 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -170.59 172.33 5.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.863 0.363 . . . . 74.02 110.884 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -74.55 142.7 44.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 75.24 110.865 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 62.15 21.23 12.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 74.33 110.899 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 15.9 m0 -106.45 128.68 54.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 73.15 110.909 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -50.4 147.18 4.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 71.41 110.891 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.7 p -153.89 141.5 19.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 71.0 110.851 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -88.27 -10.36 49.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 74.32 110.907 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -164.14 179.78 6.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 73.25 110.831 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.6 p -78.5 -9.28 59.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 65.11 110.838 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 32.5 m-20 -73.13 -27.68 61.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 72.22 110.906 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -66.88 -28.29 68.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 74.11 110.873 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 90.1 m -61.78 126.41 27.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.267 -0.424 . . . . 65.34 110.893 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.2 t -72.19 -67.35 0.55 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 75.32 110.876 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.1 tppt? -158.59 137.52 11.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 73.25 110.861 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 64.88 20.02 12.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 74.31 110.925 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 mp -122.5 152.09 40.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 74.21 110.928 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 17.0 m -141.03 128.15 21.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 72.34 111.207 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.9 t -60.11 113.32 2.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 74.43 110.893 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.54 112.12 24.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 73.33 110.903 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.3 m -67.22 -14.56 63.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 60.25 110.833 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.6 ttt180 -70.03 -46.97 63.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 75.21 110.894 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.452 ' HB3' ' CE2' ' A' ' 28' ' ' TRP . 13.0 m95 -95.66 -5.28 42.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.167 -0.47 . . . . 74.4 110.885 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.3 mmmt 69.66 25.05 5.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 75.02 110.899 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.452 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.49 169.17 15.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.202 -0.454 . . . . 74.44 110.964 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -70.22 137.26 50.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 74.42 110.913 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 10.2 m -126.16 154.0 35.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 72.55 111.115 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -54.98 113.41 1.33 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 75.23 110.91 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.44 154.63 3.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 73.11 111.095 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 121.654 0.74 . . . . 72.11 110.868 -179.814 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.918 0.39 . . . . 73.01 110.843 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.2 p -130.27 -176.77 4.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 72.02 110.886 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.19 -155.05 0.19 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.769 -0.729 . . . . 51.2 112.49 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -170.61 172.43 5.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.846 0.355 . . . . 74.02 110.859 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -74.7 142.82 44.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 75.24 110.897 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.0 mtt 61.97 21.02 12.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 74.33 110.915 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.2 m0 -106.24 129.28 54.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 73.15 110.894 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -50.44 151.0 2.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 71.41 110.912 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.1 p -159.07 143.94 15.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 71.0 110.864 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.98 -12.74 37.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 74.32 110.838 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -162.94 175.99 10.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 73.25 110.895 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.0 -9.24 58.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 65.11 110.822 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -71.75 -29.12 64.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 72.22 110.88 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -66.78 -28.57 68.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 74.11 110.919 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 88.7 m -61.32 127.26 30.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 65.34 110.88 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.3 t -73.02 -66.17 0.71 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 75.32 110.896 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.28 137.74 9.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 73.25 110.851 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 65.12 19.67 11.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 74.31 110.945 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 mp -122.31 154.44 37.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 74.21 110.886 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.6 m -142.75 128.16 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.281 -0.418 . . . . 72.34 111.129 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.5 t -61.32 113.15 2.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 74.43 110.863 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.58 111.97 23.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 73.33 110.85 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.3 m -66.74 -14.94 63.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.492 . . . . 60.25 110.849 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -69.79 -48.69 58.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 75.21 110.926 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.452 ' HB3' ' CE2' ' A' ' 28' ' ' TRP . 13.6 m95 -93.43 -5.29 49.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 74.4 110.884 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 69.5 25.12 5.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 75.02 110.921 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.452 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.71 168.67 15.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.924 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.94 137.22 51.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 74.42 110.926 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.0 m -125.38 154.12 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 72.55 111.145 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -54.76 113.55 1.36 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 75.23 110.949 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.97 142.27 20.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 73.11 111.152 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 121.673 0.749 . . . . 72.11 110.836 -179.734 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.837 0.351 . . . . 73.01 110.893 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.2 p -130.26 -176.7 4.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 72.02 110.837 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.31 -155.38 0.21 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.728 -0.749 . . . . 51.2 112.495 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -170.51 172.51 5.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.792 0.33 . . . . 74.02 110.918 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -74.66 142.87 44.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 75.24 110.889 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.9 mtt 61.94 20.91 11.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 74.33 110.842 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.0 m0 -106.03 129.09 54.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.238 -0.437 . . . . 73.15 110.908 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.5 151.01 2.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 71.41 110.95 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.5 p -159.57 145.58 16.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.288 -0.415 . . . . 71.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.0 mttt -90.16 -9.49 48.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 74.32 110.904 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -167.94 179.62 4.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 73.25 110.854 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.22 -9.13 58.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 65.11 110.859 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -70.51 -30.89 67.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.067 -0.515 . . . . 72.22 110.879 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -66.84 -28.12 68.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.154 -0.476 . . . . 74.11 110.893 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 88.2 m -61.18 126.86 28.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 65.34 110.886 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.0 t -72.82 -65.65 0.77 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.451 . . . . 75.32 110.916 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -160.65 137.95 9.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 73.25 110.906 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 65.08 19.53 11.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 74.31 110.875 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 mp -122.39 154.32 37.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.158 -0.474 . . . . 74.21 110.917 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.5 m -142.71 128.08 16.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 72.34 111.117 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.4 t -61.22 113.05 2.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.161 -0.472 . . . . 74.43 110.881 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.54 112.02 23.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 73.33 110.845 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.1 t -66.56 -15.53 63.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 60.25 110.836 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.5 ttt180 -69.17 -49.32 57.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 75.21 110.844 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.451 ' HB3' ' CE2' ' A' ' 28' ' ' TRP . 13.0 m95 -92.87 -5.35 51.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 74.4 110.942 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt 69.54 25.12 5.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 75.02 110.94 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.451 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.69 168.51 16.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 74.44 110.873 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.68 137.26 51.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 74.42 110.864 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.6 m -125.46 154.28 33.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 72.55 111.124 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -55.21 113.9 1.57 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 75.23 110.958 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.44 157.29 3.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 73.11 111.108 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 121.669 0.747 . . . . 72.11 110.833 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.919 0.39 . . . . 73.01 110.897 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.2 p -130.27 -176.8 4.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 72.02 110.905 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.04 -154.76 0.16 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 51.2 112.461 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -170.55 172.38 5.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.803 0.335 . . . . 74.02 110.895 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -74.59 142.84 44.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 75.24 110.88 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.3 mtt 61.97 20.8 11.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 74.33 110.862 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 15.9 m0 -106.11 129.37 54.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 73.15 110.925 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -50.45 150.39 2.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 71.41 110.909 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.4 p -157.91 142.22 16.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 71.0 110.843 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.3 ptpm? -88.07 -13.8 40.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 74.32 110.916 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.1 p30 -161.03 179.75 8.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 73.25 110.882 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.74 -9.18 58.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 65.11 110.851 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -72.66 -27.99 62.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.055 -0.521 . . . . 72.22 110.88 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -66.82 -28.81 68.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 74.11 110.884 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 86.9 m -61.28 127.0 29.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.47 . . . . 65.34 110.824 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.1 t -72.82 -67.04 0.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 75.32 110.862 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? -159.06 137.3 10.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 73.25 110.896 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 65.15 19.91 11.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 74.31 110.908 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.9 mp -122.38 152.74 39.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 74.21 110.892 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.3 m -141.39 128.08 20.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 72.34 111.144 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.3 t -60.66 113.52 2.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 74.43 110.86 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.57 112.33 24.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 73.33 110.9 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.6 t -67.67 -13.15 61.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 60.25 110.871 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.0 ttt85 -71.85 -47.0 56.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 75.21 110.811 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.449 ' HB3' ' CE2' ' A' ' 28' ' ' TRP . 13.3 m95 -95.27 -5.1 44.42 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.238 -0.437 . . . . 74.4 110.939 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.9 mmtm 69.51 25.07 5.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 75.02 110.911 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.449 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.63 169.0 15.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 74.44 110.955 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -70.25 137.36 50.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 74.42 110.875 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 10.5 m -125.45 153.86 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 72.55 111.151 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -54.57 112.67 1.06 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 75.23 110.947 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.59 135.93 57.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 73.11 111.091 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 121.684 0.754 . . . . 72.11 110.787 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.921 0.391 . . . . 73.01 110.878 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.9 p -130.15 -176.81 4.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.068 -0.514 . . . . 72.02 110.888 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.32 -156.55 0.18 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.704 -0.76 . . . . 51.2 112.446 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -170.61 172.5 5.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.786 0.327 . . . . 74.02 110.942 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -74.58 142.74 44.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 75.24 110.823 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 3.4 mtt 61.95 20.99 11.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 74.33 110.885 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.2 m0 -106.12 129.27 54.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 73.15 110.934 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.53 151.33 2.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 71.41 110.884 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.0 p -159.37 143.9 15.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 71.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.47 -13.28 37.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 74.32 110.828 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -162.59 178.21 8.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 73.25 110.914 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.4 p -75.71 -9.1 58.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 65.11 110.909 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -71.59 -28.9 64.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.051 -0.522 . . . . 72.22 110.914 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -66.77 -28.9 68.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 74.11 110.915 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 98.1 m -61.9 126.69 28.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 65.34 110.903 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 20.9 t -73.08 -63.85 1.09 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 75.32 110.862 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.47 138.89 7.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 73.25 110.911 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 65.12 18.08 11.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 74.31 110.886 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 mp -122.17 154.14 37.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 74.21 110.945 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.5 m -142.83 128.21 16.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 72.34 111.169 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.4 t -60.86 113.43 2.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 74.43 110.804 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.62 112.5 24.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 73.33 110.822 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 80.7 p -67.96 -12.85 61.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 60.25 110.815 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.1 ttt180 -72.13 -46.46 56.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 75.21 110.873 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.445 ' HB3' ' CE2' ' A' ' 28' ' ' TRP . 13.9 m95 -95.73 -5.25 42.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.19 -0.459 . . . . 74.4 110.992 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt 69.81 25.04 5.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 75.02 110.926 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.445 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.77 168.98 15.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 74.44 110.876 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -70.27 137.08 50.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 74.42 110.919 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.4 m -124.92 154.58 32.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 72.55 111.149 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -55.97 114.21 1.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 75.23 110.898 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.33 161.05 1.01 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 73.11 111.124 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 121.628 0.727 . . . . 72.11 110.894 -179.795 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.928 0.394 . . . . 73.01 110.902 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.7 p -129.93 -176.54 3.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 72.02 110.947 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.24 -155.96 0.15 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.74 . . . . 51.2 112.521 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -170.51 172.49 5.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.835 0.35 . . . . 74.02 110.861 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -74.61 142.77 44.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 75.24 110.849 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.4 mtt 62.08 20.77 11.89 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.182 -0.463 . . . . 74.33 110.894 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.0 m0 -105.99 129.24 54.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.255 -0.429 . . . . 73.15 110.955 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -50.69 150.41 2.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 71.41 110.928 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.1 p -157.65 142.21 16.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 71.0 110.843 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.4 ptpm? -88.39 -12.99 41.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 74.32 110.963 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -161.54 179.1 8.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 73.25 110.923 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.1 p -77.59 -8.99 58.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 65.11 110.902 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -72.96 -27.5 61.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.098 -0.501 . . . . 72.22 110.918 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -66.88 -28.67 68.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.493 . . . . 74.11 110.876 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 92.4 m -62.05 127.27 30.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 65.34 110.917 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 21.1 t -73.21 -65.85 0.76 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 75.32 110.877 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -160.51 138.31 9.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 73.25 110.839 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 65.05 19.05 11.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.203 -0.453 . . . . 74.31 110.894 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 mp -122.3 154.31 37.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 74.21 110.9 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.4 m -142.8 128.24 16.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 72.34 111.077 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.6 t -61.13 113.28 2.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 74.43 110.89 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.61 112.12 24.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 73.33 110.848 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 87.5 p -67.0 -14.46 62.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 60.25 110.913 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.9 ttt85 -70.39 -48.13 57.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 75.21 110.863 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.451 ' HB3' ' CE2' ' A' ' 28' ' ' TRP . 13.5 m95 -94.04 -5.39 47.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 74.4 110.916 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.9 mmmt 69.68 24.97 5.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.243 -0.435 . . . . 75.02 110.926 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.451 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.54 168.61 16.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 74.44 110.932 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.83 137.22 51.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.286 -0.415 . . . . 74.42 110.879 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.2 m -125.3 154.43 33.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 72.55 111.151 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -55.67 114.41 1.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 75.23 110.946 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.9 123.58 13.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 73.11 111.095 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 121.737 0.779 . . . . 72.11 110.9 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.904 0.383 . . . . 73.01 110.873 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.7 p -130.02 -176.62 3.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 72.02 110.847 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.39 -156.03 0.17 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.667 -0.778 . . . . 51.2 112.486 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -170.54 172.45 5.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.86 0.362 . . . . 74.02 110.883 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -74.66 142.88 44.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 75.24 110.822 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.7 mtt 61.96 20.83 11.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 74.33 110.849 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 15.8 m0 -105.93 129.29 54.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.198 -0.455 . . . . 73.15 110.897 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -50.57 151.29 2.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.42 . . . . 71.41 110.937 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.7 p -159.72 144.16 14.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 71.0 110.863 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.6 mtmt -89.43 -10.44 46.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 74.32 110.871 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -165.96 179.74 5.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 73.25 110.884 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.2 p -76.95 -9.23 58.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 65.11 110.837 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -71.01 -29.77 65.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.119 -0.491 . . . . 72.22 110.861 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -66.88 -28.74 68.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 74.11 110.899 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 93.0 m -61.31 127.4 31.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 65.34 110.869 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 21.0 t -73.48 -64.81 0.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 75.32 110.929 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.96 138.31 9.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 73.25 110.928 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.9 t0 64.94 18.39 11.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 74.31 110.819 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.9 mp -122.15 151.6 40.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 74.21 110.946 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 17.7 m -140.59 128.06 23.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 72.34 111.126 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.3 t -60.17 113.51 2.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 74.43 110.872 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.61 111.84 23.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 73.33 110.819 -179.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.5 t -66.77 -14.98 63.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.105 -0.498 . . . . 60.25 110.882 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 16.0 ttt85 -69.68 -48.21 60.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 75.21 110.931 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.449 ' HB3' ' CE2' ' A' ' 28' ' ' TRP . 13.2 m95 -94.22 -5.2 47.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 74.4 110.935 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 69.56 25.06 5.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 75.02 110.891 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.449 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.62 168.62 16.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 74.44 110.911 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.75 137.35 51.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 74.42 110.823 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 10.4 m -126.17 153.91 34.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 72.55 111.131 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -55.22 113.2 1.29 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 75.23 110.99 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.32 147.02 46.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 73.11 111.114 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 121.681 0.753 . . . . 72.11 110.804 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.802 0.334 . . . . 73.01 110.969 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.9 p -130.25 -176.85 4.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 72.02 110.883 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.47 -156.23 0.18 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.738 -0.744 . . . . 51.2 112.451 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -170.52 172.45 5.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.786 0.327 . . . . 74.02 110.943 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -74.48 142.61 44.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.278 -0.419 . . . . 75.24 110.907 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER 62.11 20.83 11.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 74.33 110.858 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.3 m0 -106.09 129.18 54.23 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.244 -0.435 . . . . 73.15 110.842 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.7 mptt -50.74 150.7 2.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 71.41 110.879 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.2 p -157.92 142.35 16.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 71.0 110.847 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.1 ptpp? -88.18 -13.72 40.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 74.32 110.921 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -161.12 179.77 8.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 73.25 110.821 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.0 p -77.77 -9.18 58.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 65.11 110.847 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -72.75 -27.49 62.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.166 -0.47 . . . . 72.22 110.934 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -66.88 -28.82 68.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 74.11 110.856 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 93.1 m -62.08 127.04 29.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 65.34 110.895 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 21.8 t -73.07 -65.38 0.81 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 75.32 110.898 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 tppt? -161.03 138.15 8.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 73.25 110.958 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.4 t0 65.37 18.94 11.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 74.31 110.902 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.1 mp -122.35 154.52 37.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 74.21 110.961 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.5 m -142.96 128.15 16.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 72.34 111.121 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.7 t -61.39 113.33 2.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 74.43 110.864 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.62 112.04 23.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.118 -0.492 . . . . 73.33 110.858 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.3 t -66.73 -14.69 62.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 60.25 110.856 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.7 ttt85 -69.92 -49.3 53.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.067 -0.515 . . . . 75.21 110.91 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.45 ' HB3' ' CE2' ' A' ' 28' ' ' TRP . 13.0 m95 -92.91 -5.26 51.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.127 -0.488 . . . . 74.4 110.977 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt 69.58 25.08 5.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 75.02 110.901 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.45 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.64 168.87 15.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 74.44 110.82 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -70.1 137.27 51.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 74.42 110.906 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.8 m -125.49 154.44 34.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 72.55 111.158 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -55.15 114.73 1.89 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 75.23 110.895 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.81 140.32 30.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 73.11 111.11 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 121.701 0.762 . . . . 72.11 110.893 -179.806 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 N--CA 1.458 -0.052 0 CA-C-O 120.871 0.367 . . . . 73.01 110.878 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.9 p -130.22 -176.85 4.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 72.02 110.912 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.69 -155.06 0.15 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.734 -0.746 . . . . 51.2 112.477 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -170.56 172.32 5.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.855 0.359 . . . . 74.02 110.87 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -74.55 142.84 44.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 75.24 110.891 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 5.6 mtt 61.99 20.93 11.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 74.33 110.838 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 15.9 m0 -106.13 129.29 54.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.442 . . . . 73.15 110.87 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -50.51 149.05 3.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 71.41 110.906 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.6 p -156.65 144.53 19.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 71.0 110.866 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.66 -13.85 33.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 74.32 110.855 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -162.13 176.71 10.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 73.25 110.858 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.25 -9.22 58.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 65.11 110.92 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -72.14 -29.18 63.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 72.22 110.931 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -66.74 -28.92 68.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 74.11 110.877 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 90.9 m -61.62 127.11 29.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 65.34 110.919 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.1 t -72.87 -67.46 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 75.32 110.886 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -158.21 138.27 12.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 73.25 110.917 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 64.31 19.79 11.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 74.31 110.887 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.9 mp -122.6 151.92 40.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 74.21 110.958 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.2 m -141.03 128.19 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 72.34 111.18 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.9 t -60.09 113.59 2.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 74.43 110.835 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.62 112.48 24.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 73.33 110.821 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.5 m -68.23 -12.57 61.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 60.25 110.84 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 35.4 ttt180 -72.11 -45.92 58.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 75.21 110.884 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.455 ' HB3' ' CE2' ' A' ' 28' ' ' TRP . 13.5 m95 -96.58 -5.65 38.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 74.4 110.957 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt 69.94 25.16 4.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 75.02 110.842 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.455 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.71 168.51 16.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 74.44 110.893 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.57 137.03 52.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.26 -0.427 . . . . 74.42 110.875 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.5 m -126.11 153.4 34.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 72.55 111.197 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -54.74 114.58 1.76 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.427 . . . . 75.23 110.896 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.9 136.75 27.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 73.11 111.106 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--N 1.331 -0.225 0 CA-C-O 121.67 0.748 . . . . 72.11 110.822 -179.769 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.846 0.355 . . . . 73.01 110.885 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.1 p -130.22 -176.75 4.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 72.02 110.876 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.77 -154.98 0.15 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.757 -0.735 . . . . 51.2 112.469 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -170.56 172.35 5.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.752 0.31 . . . . 74.02 110.882 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -74.65 142.95 44.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 75.24 110.863 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 7.1 mtt 61.98 20.78 11.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 74.33 110.821 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.0 m0 -106.05 129.46 54.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.318 -0.401 . . . . 73.15 110.908 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.5 mptt -50.57 150.99 2.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 71.41 110.897 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.9 p -158.99 145.28 16.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 71.0 110.928 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -90.15 -13.66 35.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 74.32 110.92 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -163.46 175.18 11.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 73.25 110.941 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.41 -9.2 58.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 65.11 110.899 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -72.14 -30.1 64.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 72.22 110.907 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.85 -25.36 66.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 74.11 110.881 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.0 m -63.86 128.74 37.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 65.34 110.906 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.9 t -73.38 -68.24 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 75.32 110.839 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.9 137.18 11.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 73.25 110.921 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.4 t0 65.26 19.5 11.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 74.31 110.846 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 mp -122.36 151.36 41.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.449 . . . . 74.21 110.887 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.9 m -140.45 128.05 23.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 72.34 111.12 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.2 t -60.17 113.7 2.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 74.43 110.855 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.53 112.78 25.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 73.33 110.872 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 76.3 p -68.22 -12.73 61.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 60.25 110.868 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 12.3 ttt85 -72.02 -46.31 57.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 75.21 110.909 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.448 ' HB3' ' CE2' ' A' ' 28' ' ' TRP . 13.2 m95 -96.23 -5.47 40.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.466 . . . . 74.4 110.935 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp 69.8 25.07 5.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 75.02 110.87 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.448 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.55 168.42 16.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.212 -0.449 . . . . 74.44 110.954 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.43 137.22 52.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 74.42 110.891 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.2 m -126.32 153.38 34.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 72.55 111.117 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -54.36 113.13 1.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 75.23 110.955 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.28 150.13 43.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 73.11 111.082 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 121.705 0.764 . . . . 72.11 110.839 -179.728 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.0 p . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.891 0.377 . . . . 73.41 110.807 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -104.92 174.11 6.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.078 -0.51 . . . . 73.01 110.875 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.0 p -131.16 -176.81 4.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 72.02 110.862 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.63 -155.09 0.15 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.725 -0.75 . . . . 51.2 112.502 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -170.51 172.38 6.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.849 0.357 . . . . 74.02 110.935 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -74.52 142.8 44.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 75.24 110.857 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.6 mtt 62.02 20.78 11.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 74.33 110.89 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.1 m0 -106.09 128.93 54.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 73.15 110.92 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -50.46 149.66 3.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 71.41 110.887 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.0 p -156.59 141.78 17.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 71.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -87.91 -12.25 45.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 74.32 110.879 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -162.52 179.73 7.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 73.25 110.915 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.7 p -78.03 -9.19 59.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 65.11 110.827 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 49.0 m-20 -72.99 -27.69 61.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 72.22 110.88 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -66.87 -28.75 68.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 74.11 110.881 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 88.3 m -61.36 126.96 29.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 65.34 110.911 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.9 t -72.75 -67.06 0.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 75.32 110.875 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -159.33 137.46 10.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 73.25 110.903 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 65.3 19.94 11.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 74.31 110.856 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 mp -122.4 154.02 38.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 74.21 110.888 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.3 m -142.44 128.24 17.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 72.34 111.139 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.3 t -61.17 113.31 2.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 74.43 110.876 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.57 112.61 24.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 73.33 110.847 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.2 p -67.9 -12.75 61.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 60.25 110.853 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 35.7 ttt180 -72.09 -47.11 53.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 75.21 110.849 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.448 ' HB3' ' CE2' ' A' ' 28' ' ' TRP . 13.2 m95 -95.13 -5.41 44.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.236 -0.438 . . . . 74.4 110.935 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.9 mmtp 69.8 25.02 5.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 75.02 110.911 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.448 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.59 168.73 16.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 74.44 110.961 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -70.01 137.14 51.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 74.42 110.879 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.3 m -124.92 154.3 32.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 72.55 111.103 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -55.74 114.41 1.87 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 75.23 110.892 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.43 151.92 3.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 73.11 111.113 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.1 m -94.01 160.5 32.17 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.631 0.729 . . . . 72.11 110.887 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -23.87 30.47 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.654 2.236 . . . . 61.21 112.354 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 74.13 110.896 -179.974 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 52.0 m . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.826 0.346 . . . . 73.41 110.889 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -72.46 170.54 14.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 73.01 110.903 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.0 p -130.15 -176.74 4.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 72.02 110.864 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.72 -155.02 0.15 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.766 -0.731 . . . . 51.2 112.507 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -170.61 172.35 5.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.762 0.315 . . . . 74.02 110.951 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -74.57 142.75 44.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 75.24 110.933 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 4.6 mtt 62.06 20.84 11.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 74.33 110.879 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.1 m0 -106.13 129.17 54.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.452 . . . . 73.15 110.958 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.66 150.31 2.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.273 -0.421 . . . . 71.41 110.874 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.4 p -157.49 142.21 16.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 71.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.3 ptpm? -88.08 -12.63 43.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 74.32 110.869 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -162.1 179.72 7.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 73.25 110.917 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.97 -9.2 58.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 65.11 110.848 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -72.99 -27.65 61.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 72.22 110.88 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -66.86 -28.77 68.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 74.11 110.866 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 89.8 m -61.36 127.55 32.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 65.34 110.902 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.9 t -73.23 -66.85 0.63 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 75.32 110.834 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.44 137.59 10.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 73.25 110.958 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 65.16 19.94 11.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.424 . . . . 74.31 110.898 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 mp -122.45 154.56 37.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.252 -0.431 . . . . 74.21 110.946 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.7 m -142.88 128.25 16.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 72.34 111.08 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.5 t -61.48 113.26 2.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 74.43 110.918 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.63 111.98 23.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 73.33 110.813 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.3 t -66.77 -14.43 62.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 60.25 110.899 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.4 ttt180 -70.24 -48.58 56.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 75.21 110.828 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.45 ' HB3' ' CE2' ' A' ' 28' ' ' TRP . 12.9 m95 -93.79 -5.19 48.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 74.4 110.89 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt 69.59 25.07 5.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 75.02 110.898 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.45 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.63 168.45 16.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 74.44 110.876 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.69 137.34 52.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 74.42 110.859 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.4 m -125.32 154.23 33.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 72.55 111.173 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -55.3 114.31 1.75 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.438 . . . . 75.23 110.964 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.06 138.1 38.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 73.11 111.108 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.2 m -57.07 160.53 6.14 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.637 0.732 . . . . 72.11 110.901 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -27.73 26.31 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.689 2.26 . . . . 61.21 112.414 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 28.3 t80 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 74.13 110.92 179.974 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 34.6 p . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.793 0.33 . . . . 73.41 110.88 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -76.13 173.8 10.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 73.01 110.913 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.2 p -130.87 -176.77 4.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 72.02 110.952 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.81 -154.76 0.15 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.65 -0.786 . . . . 51.2 112.539 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -170.62 172.27 5.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.848 0.356 . . . . 74.02 110.912 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -74.54 142.88 44.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 75.24 110.951 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.2 mtt 61.97 20.98 11.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 74.33 110.93 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.0 m0 -106.25 128.97 54.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 73.15 110.945 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -50.57 148.79 3.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 71.41 110.955 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.5 p -155.29 144.26 20.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 71.0 110.867 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.9 ptpp? -89.96 -13.47 36.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 74.32 110.912 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.8 m-20 -162.13 179.71 7.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 73.25 110.863 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.6 p -77.13 -9.08 58.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 65.11 110.946 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -73.58 -27.99 61.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.06 -0.518 . . . . 72.22 110.855 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.83 -28.03 68.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 74.11 110.845 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 88.0 m -62.57 127.51 31.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 65.34 110.833 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.4 t -72.85 -67.97 0.52 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 75.32 110.893 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 tppt? -158.18 137.41 11.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 73.25 110.94 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 65.19 19.91 11.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.443 . . . . 74.31 110.852 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 mp -122.37 153.24 39.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 74.21 110.89 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.6 m -141.94 128.2 19.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 72.34 111.119 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.3 t -60.85 113.6 2.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 74.43 110.853 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.64 112.73 24.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.482 . . . . 73.33 110.873 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 80.7 p -68.14 -12.62 61.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 60.25 110.874 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.3 ttt85 -72.19 -46.79 54.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 75.21 110.928 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.449 ' HB3' ' CE2' ' A' ' 28' ' ' TRP . 12.9 m95 -95.65 -5.45 42.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 74.4 110.907 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.3 mmtt 69.82 25.07 5.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 75.02 110.883 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.449 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.51 168.36 16.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 74.44 110.912 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.47 137.15 52.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 74.42 110.951 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.6 m -125.29 153.97 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 72.55 111.156 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -55.63 113.47 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 75.23 110.895 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.42 141.99 45.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.119 -0.492 . . . . 73.11 111.126 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.5 m -82.14 160.54 62.67 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.704 0.764 . . . . 72.11 110.894 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -29.08 24.4 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.694 2.263 . . . . 61.21 112.337 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 75.9 t80 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.275 -0.42 . . . . 74.13 110.856 -179.977 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.4 p . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.826 0.346 . . . . 73.41 110.856 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -110.71 169.19 8.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 73.01 110.922 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.6 p -130.27 -176.73 4.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 72.02 110.86 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.5 -154.81 0.21 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.749 -0.738 . . . . 51.2 112.479 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -170.5 172.31 6.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.787 0.327 . . . . 74.02 110.912 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -74.52 142.65 44.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 75.24 110.871 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 62.15 21.25 12.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 74.33 110.895 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.1 m0 -106.53 128.99 54.54 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.214 -0.448 . . . . 73.15 110.868 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.55 149.76 3.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 71.41 110.912 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.2 p -156.9 142.25 17.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 71.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.5 mtmm -87.82 -13.78 41.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 74.32 110.863 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -160.94 179.75 8.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.261 -0.427 . . . . 73.25 110.835 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.3 p -78.09 -9.0 58.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 65.11 110.796 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -73.09 -27.9 61.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 72.22 110.858 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -66.87 -27.26 67.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 74.11 110.819 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 89.2 m -62.96 126.7 28.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 65.34 110.879 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.9 t -72.11 -68.46 0.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 75.32 110.881 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.87 137.34 11.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 73.25 110.881 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.8 t70 65.28 20.24 11.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 74.31 110.844 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.1 mp -122.59 153.61 39.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 74.21 110.905 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.7 m -142.33 128.27 17.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 72.34 111.108 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.0 t -60.9 113.3 2.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 74.43 110.911 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.69 112.18 24.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 73.33 110.839 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 93.9 p -67.3 -14.06 62.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 60.25 110.869 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.1 ttt85 -70.61 -47.17 61.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 75.21 110.841 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.45 ' HB3' ' CE2' ' A' ' 28' ' ' TRP . 13.2 m95 -95.31 -5.37 43.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 74.4 110.956 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.1 mmmt 69.65 25.14 5.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 75.02 110.871 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.45 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.62 168.62 16.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 74.44 110.88 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.88 137.33 51.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 74.42 110.85 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.4 m -125.48 154.43 34.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 72.55 111.1 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -55.88 114.25 1.83 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 75.23 110.904 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.52 138.68 56.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 73.11 111.079 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.82 160.58 81.63 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.595 0.712 . . . . 72.11 110.885 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -33.6 16.15 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.72 2.28 . . . . 61.21 112.311 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 23.5 t80 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.302 -0.408 . . . . 74.13 110.907 -179.994 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 58.8 m . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.796 0.331 . . . . 73.41 110.912 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -81.73 170.35 15.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 73.01 110.912 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.1 p -130.29 -176.71 4.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 72.02 110.9 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.97 -154.89 0.16 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.73 -0.747 . . . . 51.2 112.54 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -170.55 172.41 5.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.813 0.339 . . . . 74.02 110.894 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -74.72 142.93 44.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 75.24 110.887 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 3.3 mtt 61.89 20.83 11.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 74.33 110.922 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.0 m0 -106.03 129.28 54.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.187 -0.46 . . . . 73.15 110.867 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.9 mptt -50.79 150.43 2.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 71.41 110.886 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.5 p -157.48 141.89 16.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 71.0 110.934 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.8 mtmt -88.11 -12.13 45.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 74.32 110.897 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -162.2 179.71 7.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 73.25 110.893 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.2 p -78.41 -9.11 59.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 65.11 110.908 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 56.1 m-20 -73.21 -27.31 61.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.045 -0.525 . . . . 72.22 110.985 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -66.95 -28.63 68.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 74.11 110.833 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 89.1 m -61.51 127.94 33.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 65.34 110.908 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.3 t -73.37 -67.2 0.6 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 75.32 110.926 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -159.09 137.54 10.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 73.25 110.919 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 t70 65.12 20.01 11.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 74.31 110.845 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 mp -122.44 154.29 37.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 74.21 110.859 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.6 m -142.58 128.23 17.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 72.34 111.115 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.6 t -61.38 113.36 2.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 74.43 110.798 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.64 112.01 23.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 73.33 110.868 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.8 t -66.78 -14.86 63.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 60.25 110.862 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 42.7 ttt180 -69.81 -48.85 57.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 75.21 110.898 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.45 ' HB3' ' CE2' ' A' ' 28' ' ' TRP . 13.0 m95 -93.42 -5.16 49.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 74.4 110.921 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.0 mmmm 69.42 25.04 5.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 75.02 110.933 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.45 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.52 168.64 16.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 74.44 110.919 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.87 137.39 51.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 74.42 110.876 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.0 m -125.54 154.23 33.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 72.55 111.127 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -55.23 114.75 1.91 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 75.23 110.882 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.73 157.83 2.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 73.11 111.054 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.9 m -81.05 160.51 65.72 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.651 0.739 . . . . 72.11 110.869 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -23.07 31.25 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.734 2.29 . . . . 61.21 112.342 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.175 -0.466 . . . . 74.13 110.863 -179.909 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.833 0.349 . . . . 73.41 110.847 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -108.68 172.25 6.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 73.01 110.897 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.0 p -130.24 -176.78 4.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 72.02 110.913 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.9 -154.74 0.15 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.753 -0.737 . . . . 51.2 112.417 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -170.58 172.31 5.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.817 0.341 . . . . 74.02 110.893 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -74.55 142.82 44.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 75.24 110.966 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.0 mtt 61.97 20.94 11.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 74.33 110.943 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 15.9 m0 -106.18 129.1 54.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 73.15 110.96 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.72 149.91 3.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 71.41 110.836 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.9 p -156.47 144.22 19.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 71.0 110.927 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -90.82 -8.95 48.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 74.32 110.805 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -166.23 179.71 5.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 73.25 110.893 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.83 -9.19 58.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 65.11 110.883 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -73.33 -28.16 61.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 72.22 110.96 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.86 -27.93 67.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.117 -0.492 . . . . 74.11 110.803 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 88.7 m -62.24 128.0 34.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 65.34 110.869 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 25.8 t -73.25 -68.1 0.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 75.32 110.894 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -158.28 137.28 11.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 73.25 110.891 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 65.29 20.23 11.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 74.31 110.836 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 mp -122.52 154.41 37.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 74.21 110.994 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.4 m -142.73 128.33 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 72.34 111.129 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.6 t -61.46 113.26 2.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 74.43 110.911 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.53 111.92 23.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 73.33 110.894 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.8 t -66.89 -13.98 62.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 60.25 110.849 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 46.4 ttt180 -70.71 -48.7 53.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 75.21 110.857 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.449 ' HB3' ' CE2' ' A' ' 28' ' ' TRP . 13.0 m95 -93.57 -5.3 49.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 74.4 110.953 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.5 mmmt 69.71 25.01 5.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 75.02 110.92 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.449 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.56 168.59 16.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.268 -0.423 . . . . 74.44 110.932 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.86 137.25 51.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 74.42 110.876 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.1 m -125.16 154.49 33.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.106 -0.497 . . . . 72.55 111.126 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -55.32 114.38 1.78 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 75.23 110.93 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.07 149.63 27.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 73.11 111.124 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.73 160.65 38.11 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.647 0.737 . . . . 72.11 110.861 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -16.16 37.51 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.676 2.251 . . . . 61.21 112.379 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 35.6 t80 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 74.13 110.908 -179.959 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 18.1 m . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 120.88 0.371 . . . . 73.41 110.865 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.58 174.26 0.23 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 73.01 110.875 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.7 p -129.87 -176.53 3.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 72.02 110.919 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.34 -155.91 0.16 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.762 -0.732 . . . . 51.2 112.53 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -170.44 172.46 6.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.779 0.323 . . . . 74.02 110.964 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -74.61 142.9 44.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.294 -0.412 . . . . 75.24 110.893 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER 61.91 20.83 11.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 74.33 110.874 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 15.8 m0 -106.01 129.1 54.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 73.15 110.87 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -50.7 150.54 2.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 71.41 110.9 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.9 p -157.81 142.21 16.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 71.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -88.36 -12.31 43.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 74.32 110.843 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -162.28 179.73 7.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.205 -0.452 . . . . 73.25 110.895 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.11 -9.21 59.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 65.11 110.822 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -72.86 -27.71 62.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 72.22 110.837 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -66.82 -28.7 68.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 74.11 110.897 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 94.3 m -62.01 127.94 33.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 65.34 110.865 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 21.8 t -73.69 -66.72 0.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 75.32 110.858 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -159.66 138.39 10.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.11 -0.495 . . . . 73.25 110.873 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 33.0 t0 65.0 19.37 11.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 74.31 110.844 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 mp -122.4 155.21 36.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 74.21 110.962 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.6 m -143.8 128.42 14.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 72.34 111.083 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.6 t -61.51 113.49 2.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 74.43 110.854 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.57 112.77 25.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 73.33 110.85 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.3 p -68.02 -12.64 61.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 60.25 110.863 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.3 ttt85 -72.25 -47.28 51.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.13 -0.486 . . . . 75.21 110.878 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.451 ' HB3' ' CE2' ' A' ' 28' ' ' TRP . 13.2 m95 -94.92 -5.48 44.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 74.4 110.902 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.8 mmtt 69.8 25.18 5.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 75.02 110.874 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.451 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.66 168.5 16.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.277 -0.42 . . . . 74.44 110.898 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.72 137.17 51.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 74.42 110.857 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.5 m -125.15 154.67 33.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.096 -0.502 . . . . 72.55 111.129 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -55.64 114.19 1.76 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 75.23 110.87 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.72 126.61 20.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 73.11 111.148 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.7 m -84.63 160.57 55.94 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.585 0.707 . . . . 72.11 110.904 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -25.32 29.02 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.647 2.231 . . . . 61.21 112.394 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 74.13 110.879 -179.971 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 28.2 m . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.859 0.361 . . . . 73.41 110.852 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -93.25 164.64 13.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 73.01 110.907 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.2 p -130.26 -176.74 4.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 72.02 110.92 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.33 -154.72 0.19 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.697 -0.764 . . . . 51.2 112.501 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -170.53 172.42 5.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.83 0.348 . . . . 74.02 110.9 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -74.52 142.78 44.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 75.24 110.896 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 6.8 mtt 62.02 20.92 11.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 74.33 110.843 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.1 m0 -106.15 129.11 54.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 73.15 110.918 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.65 149.92 3.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.43 . . . . 71.41 110.884 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.5 p -156.91 141.82 17.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 71.0 110.842 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.5 ptpm? -88.03 -12.58 43.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 74.32 110.876 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -161.63 179.88 7.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 73.25 110.861 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.1 p -78.48 -9.17 59.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 65.11 110.828 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -73.33 -27.32 61.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 72.22 110.857 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -66.85 -28.61 68.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.46 . . . . 74.11 110.844 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 89.0 m -61.68 127.52 31.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 65.34 110.857 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.1 t -72.88 -67.28 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 75.32 110.89 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.99 137.3 10.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 73.25 110.889 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 65.19 19.74 11.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 74.31 110.911 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.9 mp -122.27 152.68 39.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 74.21 110.954 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.3 m -141.26 128.21 20.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 72.34 111.083 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.5 t -60.92 113.35 2.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 74.43 110.896 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.53 112.46 24.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 73.33 110.848 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.8 p -67.5 -13.39 62.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 60.25 110.835 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.2 ttt85 -71.37 -47.63 55.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 75.21 110.873 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.449 ' HB3' ' CE2' ' A' ' 28' ' ' TRP . 12.8 m95 -94.74 -5.33 45.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 74.4 110.91 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.3 mmmt 69.72 25.03 5.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 75.02 110.872 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.449 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.62 168.52 16.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.297 -0.41 . . . . 74.44 110.969 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.77 137.34 51.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 74.42 110.857 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.6 m -125.3 153.92 33.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.492 . . . . 72.55 111.156 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -55.82 114.78 2.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 75.23 110.937 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.68 157.29 7.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 73.11 111.141 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.18 160.69 42.33 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.66 0.743 . . . . 72.11 110.878 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 -39.37 6.42 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.673 2.248 . . . . 61.21 112.288 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 15.6 t80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.42 . . . . 74.13 110.847 -179.922 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 65.7 m . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.828 0.347 . . . . 73.41 110.893 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -114.87 173.51 6.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 73.01 110.885 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.3 p -130.52 -176.73 4.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 72.02 110.9 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.27 -154.85 0.19 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.804 -0.712 . . . . 51.2 112.471 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -170.6 172.35 5.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.797 0.332 . . . . 74.02 110.899 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -74.59 142.87 44.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 75.24 110.911 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER 61.88 20.94 11.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 74.33 110.957 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.0 m0 -106.15 129.2 54.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 73.15 110.907 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.1 mptt -50.48 150.75 2.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.293 -0.412 . . . . 71.41 110.941 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.5 p -158.21 143.18 16.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 71.0 110.853 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.92 -13.43 39.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 74.32 110.928 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -161.62 179.46 8.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 73.25 110.887 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.4 p -77.29 -9.12 58.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 65.11 110.817 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -72.55 -28.22 62.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 72.22 110.853 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -66.95 -28.79 68.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 74.11 110.779 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 90.3 m -61.37 126.97 29.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 65.34 110.873 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.9 t -72.84 -66.5 0.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 75.32 110.935 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.99 137.74 9.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 73.25 110.93 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.7 t0 65.17 19.73 11.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 74.31 110.909 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.9 mp -122.27 155.0 36.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 74.21 110.932 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.3 m -143.23 128.17 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 72.34 111.157 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.5 t -61.44 113.24 2.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.5 . . . . 74.43 110.882 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.56 112.72 24.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 73.33 110.888 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.1 t -67.91 -12.78 61.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 60.25 110.916 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 47.9 ttt180 -72.12 -47.21 52.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.049 -0.523 . . . . 75.21 110.854 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.448 ' HB3' ' CE2' ' A' ' 28' ' ' TRP . 13.3 m95 -94.98 -5.34 44.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 74.4 110.924 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.1 mmtp 69.93 25.0 5.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.286 -0.416 . . . . 75.02 110.866 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.448 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.74 168.86 15.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 74.44 110.939 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -70.15 137.1 50.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.288 -0.415 . . . . 74.42 110.852 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.5 m -124.52 154.57 32.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 72.55 111.149 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -55.93 113.97 1.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 75.23 110.999 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.24 130.19 30.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 73.11 111.095 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.66 160.21 4.27 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.615 0.721 . . . . 72.11 110.852 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -34.81 13.94 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.675 2.25 . . . . 61.21 112.338 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 74.13 110.899 -179.989 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.5 m . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.876 0.37 . . . . 73.41 110.802 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -105.37 174.09 6.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.098 -0.501 . . . . 73.01 110.892 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.0 p -131.58 -176.8 4.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 72.02 110.86 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.68 -155.06 0.15 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.757 -0.735 . . . . 51.2 112.53 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -170.53 172.3 6.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.807 0.337 . . . . 74.02 110.849 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -74.58 143.01 44.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.281 -0.418 . . . . 75.24 110.906 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 5.7 mtt 61.87 20.8 11.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 74.33 110.853 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.0 m0 -106.07 129.43 54.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 73.15 110.918 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.1 mptt -50.42 151.14 2.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 71.41 110.911 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.8 p -159.73 146.17 16.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 71.0 110.917 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.5 mmpt? -90.88 -14.73 31.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 74.32 110.932 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -162.81 176.01 10.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 73.25 110.846 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.41 -9.14 58.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 65.11 110.873 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -71.08 -30.69 66.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 72.22 110.917 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.89 -27.88 67.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 74.11 110.881 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 86.0 m -61.62 127.72 32.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 65.34 110.914 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.3 t -73.24 -67.64 0.56 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 75.32 110.867 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.27 137.13 11.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 73.25 110.893 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 65.19 19.81 11.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 74.31 110.922 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 mp -122.48 151.54 41.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 74.21 110.865 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.0 m -140.51 128.06 23.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 72.34 111.161 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.1 t -60.29 113.59 2.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 74.43 110.951 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.59 112.78 25.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 73.33 110.893 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.3 t -68.12 -12.67 61.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.087 -0.506 . . . . 60.25 110.839 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.6 ttt85 -72.18 -47.0 53.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 75.21 110.889 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.451 ' HB3' ' CE2' ' A' ' 28' ' ' TRP . 13.1 m95 -95.37 -5.5 43.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 74.4 110.931 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.0 mmtp 69.83 25.11 5.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 75.02 110.868 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.451 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.66 168.71 16.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 74.44 110.877 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.75 137.21 51.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 74.42 110.858 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 10.8 m -125.75 153.83 34.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 72.55 111.153 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -54.89 112.75 1.11 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.229 -0.441 . . . . 75.23 110.922 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.26 133.85 54.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 73.11 111.175 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.6 m -92.65 160.48 34.33 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.683 0.754 . . . . 72.11 110.834 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 -25.73 28.68 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.66 2.24 . . . . 61.21 112.344 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 52.2 t80 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.295 -0.411 . . . . 74.13 110.906 -179.919 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.5 t . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.842 0.353 . . . . 73.41 110.85 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -62.79 172.75 1.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 73.01 110.917 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.2 p -130.93 -176.78 4.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 72.02 110.842 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.06 -154.92 0.17 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.734 -0.746 . . . . 51.2 112.525 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -170.59 172.33 5.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.863 0.363 . . . . 74.02 110.884 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -74.55 142.7 44.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 75.24 110.865 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 62.15 21.23 12.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 74.33 110.899 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 15.9 m0 -106.45 128.68 54.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 73.15 110.909 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -50.4 147.18 4.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 71.41 110.891 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.7 p -153.89 141.5 19.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 71.0 110.851 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -88.27 -10.36 49.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 74.32 110.907 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -164.14 179.78 6.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 73.25 110.831 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.6 p -78.5 -9.28 59.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 65.11 110.838 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 32.5 m-20 -73.13 -27.68 61.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 72.22 110.906 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -66.88 -28.29 68.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 74.11 110.873 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 90.1 m -61.78 126.41 27.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.267 -0.424 . . . . 65.34 110.893 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.2 t -72.19 -67.35 0.55 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 75.32 110.876 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.1 tppt? -158.59 137.52 11.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 73.25 110.861 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 64.88 20.02 12.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 74.31 110.925 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 mp -122.5 152.09 40.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 74.21 110.928 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 17.0 m -141.03 128.15 21.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 72.34 111.207 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.9 t -60.11 113.32 2.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 74.43 110.893 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.54 112.12 24.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 73.33 110.903 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.3 m -67.22 -14.56 63.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 60.25 110.833 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.6 ttt180 -70.03 -46.97 63.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 75.21 110.894 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.452 ' HB3' ' CE2' ' A' ' 28' ' ' TRP . 13.0 m95 -95.66 -5.28 42.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.167 -0.47 . . . . 74.4 110.885 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.3 mmmt 69.66 25.05 5.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 75.02 110.899 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.452 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.49 169.17 15.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.202 -0.454 . . . . 74.44 110.964 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -70.22 137.26 50.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 74.42 110.913 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 10.2 m -126.16 154.0 35.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 72.55 111.115 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -54.98 113.41 1.33 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 75.23 110.91 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.44 154.63 3.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 73.11 111.095 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 m -94.65 160.53 31.22 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.654 0.74 . . . . 72.11 110.868 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -27.37 26.56 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.678 2.252 . . . . 61.21 112.38 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 19.8 t80 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 74.13 110.855 -179.975 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 35.0 p . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.815 0.341 . . . . 73.41 110.902 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -61.24 170.84 1.54 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 73.01 110.843 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.2 p -130.27 -176.77 4.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 72.02 110.886 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.19 -155.05 0.19 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.769 -0.729 . . . . 51.2 112.49 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -170.61 172.43 5.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.846 0.355 . . . . 74.02 110.859 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -74.7 142.82 44.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 75.24 110.897 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.0 mtt 61.97 21.02 12.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 74.33 110.915 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.2 m0 -106.24 129.28 54.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 73.15 110.894 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -50.44 151.0 2.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 71.41 110.912 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.1 p -159.07 143.94 15.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 71.0 110.864 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.98 -12.74 37.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 74.32 110.838 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -162.94 175.99 10.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 73.25 110.895 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.0 -9.24 58.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 65.11 110.822 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -71.75 -29.12 64.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 72.22 110.88 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -66.78 -28.57 68.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 74.11 110.919 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 88.7 m -61.32 127.26 30.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 65.34 110.88 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.3 t -73.02 -66.17 0.71 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 75.32 110.896 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.28 137.74 9.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 73.25 110.851 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 65.12 19.67 11.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 74.31 110.945 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 mp -122.31 154.44 37.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 74.21 110.886 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.6 m -142.75 128.16 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.281 -0.418 . . . . 72.34 111.129 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.5 t -61.32 113.15 2.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 74.43 110.863 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.58 111.97 23.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 73.33 110.85 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.3 m -66.74 -14.94 63.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.492 . . . . 60.25 110.849 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -69.79 -48.69 58.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 75.21 110.926 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.452 ' HB3' ' CE2' ' A' ' 28' ' ' TRP . 13.6 m95 -93.43 -5.29 49.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 74.4 110.884 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 69.5 25.12 5.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 75.02 110.921 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.452 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.71 168.67 15.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.924 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.94 137.22 51.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 74.42 110.926 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.0 m -125.38 154.12 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 72.55 111.145 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -54.76 113.55 1.36 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 75.23 110.949 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.97 142.27 20.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 73.11 111.152 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.9 m -62.26 160.62 30.64 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.673 0.749 . . . . 72.11 110.836 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -31.1 21.11 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.66 2.24 . . . . 61.21 112.355 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 47.9 p90 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 74.13 110.881 -179.942 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 11.5 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.842 0.354 . . . . 73.41 110.869 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -77.23 169.65 17.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 73.01 110.893 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.2 p -130.26 -176.7 4.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 72.02 110.837 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.31 -155.38 0.21 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.728 -0.749 . . . . 51.2 112.495 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -170.51 172.51 5.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.792 0.33 . . . . 74.02 110.918 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -74.66 142.87 44.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 75.24 110.889 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.9 mtt 61.94 20.91 11.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 74.33 110.842 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.0 m0 -106.03 129.09 54.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.238 -0.437 . . . . 73.15 110.908 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.5 151.01 2.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 71.41 110.95 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.5 p -159.57 145.58 16.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.288 -0.415 . . . . 71.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.0 mttt -90.16 -9.49 48.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 74.32 110.904 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -167.94 179.62 4.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 73.25 110.854 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.22 -9.13 58.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 65.11 110.859 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -70.51 -30.89 67.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.067 -0.515 . . . . 72.22 110.879 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -66.84 -28.12 68.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.154 -0.476 . . . . 74.11 110.893 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 88.2 m -61.18 126.86 28.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 65.34 110.886 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.0 t -72.82 -65.65 0.77 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.451 . . . . 75.32 110.916 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -160.65 137.95 9.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 73.25 110.906 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 65.08 19.53 11.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 74.31 110.875 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 mp -122.39 154.32 37.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.158 -0.474 . . . . 74.21 110.917 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.5 m -142.71 128.08 16.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 72.34 111.117 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.4 t -61.22 113.05 2.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.161 -0.472 . . . . 74.43 110.881 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.54 112.02 23.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 73.33 110.845 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.1 t -66.56 -15.53 63.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 60.25 110.836 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.5 ttt180 -69.17 -49.32 57.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 75.21 110.844 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.451 ' HB3' ' CE2' ' A' ' 28' ' ' TRP . 13.0 m95 -92.87 -5.35 51.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 74.4 110.942 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt 69.54 25.12 5.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 75.02 110.94 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.451 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.69 168.51 16.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 74.44 110.873 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.68 137.26 51.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 74.42 110.864 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.6 m -125.46 154.28 33.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 72.55 111.124 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -55.21 113.9 1.57 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 75.23 110.958 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.44 157.29 3.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 73.11 111.108 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.79 160.54 31.02 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.669 0.747 . . . . 72.11 110.833 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -33.47 16.68 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.658 2.239 . . . . 61.21 112.383 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 74.13 110.882 -179.99 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.863 0.363 . . . . 73.41 110.917 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -68.63 174.13 4.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.068 -0.515 . . . . 73.01 110.897 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.2 p -130.27 -176.8 4.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 72.02 110.905 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.04 -154.76 0.16 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 51.2 112.461 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -170.55 172.38 5.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.803 0.335 . . . . 74.02 110.895 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -74.59 142.84 44.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 75.24 110.88 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.3 mtt 61.97 20.8 11.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 74.33 110.862 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 15.9 m0 -106.11 129.37 54.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 73.15 110.925 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -50.45 150.39 2.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 71.41 110.909 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.4 p -157.91 142.22 16.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 71.0 110.843 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.3 ptpm? -88.07 -13.8 40.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 74.32 110.916 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.1 p30 -161.03 179.75 8.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 73.25 110.882 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.74 -9.18 58.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 65.11 110.851 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -72.66 -27.99 62.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.055 -0.521 . . . . 72.22 110.88 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -66.82 -28.81 68.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 74.11 110.884 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 86.9 m -61.28 127.0 29.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.47 . . . . 65.34 110.824 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.1 t -72.82 -67.04 0.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 75.32 110.862 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? -159.06 137.3 10.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 73.25 110.896 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 65.15 19.91 11.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 74.31 110.908 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.9 mp -122.38 152.74 39.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 74.21 110.892 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.3 m -141.39 128.08 20.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 72.34 111.144 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.3 t -60.66 113.52 2.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 74.43 110.86 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.57 112.33 24.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 73.33 110.9 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.6 t -67.67 -13.15 61.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 60.25 110.871 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.0 ttt85 -71.85 -47.0 56.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 75.21 110.811 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.449 ' HB3' ' CE2' ' A' ' 28' ' ' TRP . 13.3 m95 -95.27 -5.1 44.42 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.238 -0.437 . . . . 74.4 110.939 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.9 mmtm 69.51 25.07 5.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 75.02 110.911 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.449 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.63 169.0 15.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 74.44 110.955 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -70.25 137.36 50.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 74.42 110.875 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 10.5 m -125.45 153.86 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 72.55 111.151 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -54.57 112.67 1.06 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 75.23 110.947 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.59 135.93 57.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 73.11 111.091 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.33 160.54 54.03 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.684 0.754 . . . . 72.11 110.787 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 -31.93 19.47 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.621 2.214 . . . . 61.21 112.365 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 74.13 110.849 179.989 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.7 t . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.839 0.352 . . . . 73.41 110.87 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -83.67 173.45 11.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.497 . . . . 73.01 110.878 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.9 p -130.15 -176.81 4.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.068 -0.514 . . . . 72.02 110.888 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.32 -156.55 0.18 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.704 -0.76 . . . . 51.2 112.446 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -170.61 172.5 5.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.786 0.327 . . . . 74.02 110.942 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -74.58 142.74 44.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 75.24 110.823 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 3.4 mtt 61.95 20.99 11.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 74.33 110.885 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.2 m0 -106.12 129.27 54.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 73.15 110.934 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.53 151.33 2.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 71.41 110.884 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.0 p -159.37 143.9 15.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 71.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.47 -13.28 37.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 74.32 110.828 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -162.59 178.21 8.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 73.25 110.914 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.4 p -75.71 -9.1 58.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 65.11 110.909 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -71.59 -28.9 64.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.051 -0.522 . . . . 72.22 110.914 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -66.77 -28.9 68.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 74.11 110.915 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 98.1 m -61.9 126.69 28.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 65.34 110.903 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 20.9 t -73.08 -63.85 1.09 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 75.32 110.862 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.47 138.89 7.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 73.25 110.911 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 65.12 18.08 11.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 74.31 110.886 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 mp -122.17 154.14 37.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 74.21 110.945 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.5 m -142.83 128.21 16.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 72.34 111.169 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.4 t -60.86 113.43 2.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 74.43 110.804 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.62 112.5 24.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 73.33 110.822 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 80.7 p -67.96 -12.85 61.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 60.25 110.815 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.1 ttt180 -72.13 -46.46 56.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 75.21 110.873 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.445 ' HB3' ' CE2' ' A' ' 28' ' ' TRP . 13.9 m95 -95.73 -5.25 42.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.19 -0.459 . . . . 74.4 110.992 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt 69.81 25.04 5.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 75.02 110.926 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.445 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.77 168.98 15.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 74.44 110.876 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -70.27 137.08 50.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 74.42 110.919 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.4 m -124.92 154.58 32.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 72.55 111.149 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -55.97 114.21 1.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 75.23 110.898 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.33 161.05 1.01 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 73.11 111.124 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.2 m -63.79 160.57 44.32 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.628 0.727 . . . . 72.11 110.894 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 -21.77 33.18 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.693 2.262 . . . . 61.21 112.324 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 13.9 t80 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.29 -0.413 . . . . 74.13 110.899 -179.969 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 69.2 m . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.821 0.343 . . . . 73.41 110.827 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.12 174.24 0.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 73.01 110.902 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.7 p -129.93 -176.54 3.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 72.02 110.947 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.24 -155.96 0.15 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.74 . . . . 51.2 112.521 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -170.51 172.49 5.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.835 0.35 . . . . 74.02 110.861 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -74.61 142.77 44.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 75.24 110.849 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.4 mtt 62.08 20.77 11.89 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.182 -0.463 . . . . 74.33 110.894 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.0 m0 -105.99 129.24 54.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.255 -0.429 . . . . 73.15 110.955 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -50.69 150.41 2.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 71.41 110.928 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.1 p -157.65 142.21 16.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 71.0 110.843 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.4 ptpm? -88.39 -12.99 41.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 74.32 110.963 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -161.54 179.1 8.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 73.25 110.923 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.1 p -77.59 -8.99 58.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 65.11 110.902 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -72.96 -27.5 61.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.098 -0.501 . . . . 72.22 110.918 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -66.88 -28.67 68.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.493 . . . . 74.11 110.876 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 92.4 m -62.05 127.27 30.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 65.34 110.917 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 21.1 t -73.21 -65.85 0.76 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 75.32 110.877 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -160.51 138.31 9.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 73.25 110.839 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 65.05 19.05 11.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.203 -0.453 . . . . 74.31 110.894 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 mp -122.3 154.31 37.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 74.21 110.9 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.4 m -142.8 128.24 16.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 72.34 111.077 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.6 t -61.13 113.28 2.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 74.43 110.89 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.61 112.12 24.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 73.33 110.848 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 87.5 p -67.0 -14.46 62.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 60.25 110.913 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.9 ttt85 -70.39 -48.13 57.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 75.21 110.863 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.451 ' HB3' ' CE2' ' A' ' 28' ' ' TRP . 13.5 m95 -94.04 -5.39 47.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 74.4 110.916 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.9 mmmt 69.68 24.97 5.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.243 -0.435 . . . . 75.02 110.926 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.451 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.54 168.61 16.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 74.44 110.932 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.83 137.22 51.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.286 -0.415 . . . . 74.42 110.879 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.2 m -125.3 154.43 33.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 72.55 111.151 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -55.67 114.41 1.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 75.23 110.946 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.9 123.58 13.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 73.11 111.095 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.2 160.51 64.13 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.737 0.779 . . . . 72.11 110.9 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -25.67 28.63 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.672 2.248 . . . . 61.21 112.332 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.433 . . . . 74.13 110.981 179.999 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 64.4 m . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.84 0.352 . . . . 73.41 110.861 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -57.76 174.25 0.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 73.01 110.873 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.7 p -130.02 -176.62 3.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 72.02 110.847 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.39 -156.03 0.17 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.667 -0.778 . . . . 51.2 112.486 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -170.54 172.45 5.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.86 0.362 . . . . 74.02 110.883 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -74.66 142.88 44.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 75.24 110.822 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.7 mtt 61.96 20.83 11.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 74.33 110.849 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 15.8 m0 -105.93 129.29 54.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.198 -0.455 . . . . 73.15 110.897 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -50.57 151.29 2.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.42 . . . . 71.41 110.937 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.7 p -159.72 144.16 14.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 71.0 110.863 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.6 mtmt -89.43 -10.44 46.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 74.32 110.871 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -165.96 179.74 5.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 73.25 110.884 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.2 p -76.95 -9.23 58.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 65.11 110.837 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -71.01 -29.77 65.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.119 -0.491 . . . . 72.22 110.861 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -66.88 -28.74 68.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 74.11 110.899 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 93.0 m -61.31 127.4 31.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 65.34 110.869 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 21.0 t -73.48 -64.81 0.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 75.32 110.929 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.96 138.31 9.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 73.25 110.928 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.9 t0 64.94 18.39 11.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 74.31 110.819 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.9 mp -122.15 151.6 40.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 74.21 110.946 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 17.7 m -140.59 128.06 23.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 72.34 111.126 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.3 t -60.17 113.51 2.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 74.43 110.872 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.61 111.84 23.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 73.33 110.819 -179.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.5 t -66.77 -14.98 63.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.105 -0.498 . . . . 60.25 110.882 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 16.0 ttt85 -69.68 -48.21 60.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 75.21 110.931 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.449 ' HB3' ' CE2' ' A' ' 28' ' ' TRP . 13.2 m95 -94.22 -5.2 47.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 74.4 110.935 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 69.56 25.06 5.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 75.02 110.891 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.449 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.62 168.62 16.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 74.44 110.911 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.75 137.35 51.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 74.42 110.823 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 10.4 m -126.17 153.91 34.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 72.55 111.131 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -55.22 113.2 1.29 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 75.23 110.99 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.32 147.02 46.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 73.11 111.114 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -77.1 160.59 75.7 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.681 0.753 . . . . 72.11 110.804 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.83 -32.61 17.93 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.636 2.224 . . . . 61.21 112.353 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.5 t80 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 74.13 110.858 -179.964 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.6 t . . . . . 0 C--O 1.23 0.037 0 CA-C-O 120.855 0.359 . . . . 73.41 110.925 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -53.53 172.4 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.082 -0.508 . . . . 73.01 110.969 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.9 p -130.25 -176.85 4.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 72.02 110.883 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.47 -156.23 0.18 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.738 -0.744 . . . . 51.2 112.451 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -170.52 172.45 5.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.786 0.327 . . . . 74.02 110.943 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -74.48 142.61 44.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.278 -0.419 . . . . 75.24 110.907 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER 62.11 20.83 11.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 74.33 110.858 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.3 m0 -106.09 129.18 54.23 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.244 -0.435 . . . . 73.15 110.842 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.7 mptt -50.74 150.7 2.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 71.41 110.879 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.2 p -157.92 142.35 16.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 71.0 110.847 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.1 ptpp? -88.18 -13.72 40.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 74.32 110.921 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -161.12 179.77 8.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 73.25 110.821 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.0 p -77.77 -9.18 58.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 65.11 110.847 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -72.75 -27.49 62.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.166 -0.47 . . . . 72.22 110.934 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -66.88 -28.82 68.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 74.11 110.856 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 93.1 m -62.08 127.04 29.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 65.34 110.895 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 21.8 t -73.07 -65.38 0.81 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 75.32 110.898 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 tppt? -161.03 138.15 8.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 73.25 110.958 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.4 t0 65.37 18.94 11.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 74.31 110.902 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.1 mp -122.35 154.52 37.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 74.21 110.961 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.5 m -142.96 128.15 16.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 72.34 111.121 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.7 t -61.39 113.33 2.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 74.43 110.864 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.62 112.04 23.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.118 -0.492 . . . . 73.33 110.858 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.3 t -66.73 -14.69 62.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 60.25 110.856 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.7 ttt85 -69.92 -49.3 53.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.067 -0.515 . . . . 75.21 110.91 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.45 ' HB3' ' CE2' ' A' ' 28' ' ' TRP . 13.0 m95 -92.91 -5.26 51.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.127 -0.488 . . . . 74.4 110.977 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt 69.58 25.08 5.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 75.02 110.901 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.45 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.64 168.87 15.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 74.44 110.82 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -70.1 137.27 51.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 74.42 110.906 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.8 m -125.49 154.44 34.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 72.55 111.158 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -55.15 114.73 1.89 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 75.23 110.895 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.81 140.32 30.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 73.11 111.11 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.6 m -93.54 160.52 32.79 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.701 0.762 . . . . 72.11 110.893 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.76 -24.24 29.92 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.671 2.247 . . . . 61.21 112.368 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 53.3 p90 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 74.13 110.802 -179.957 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 6.5 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.783 0.325 . . . . 73.41 110.867 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -84.36 174.08 10.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 73.01 110.878 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.9 p -130.22 -176.85 4.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 72.02 110.912 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.69 -155.06 0.15 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.734 -0.746 . . . . 51.2 112.477 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -170.56 172.32 5.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.855 0.359 . . . . 74.02 110.87 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -74.55 142.84 44.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 75.24 110.891 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 5.6 mtt 61.99 20.93 11.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 74.33 110.838 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 15.9 m0 -106.13 129.29 54.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.442 . . . . 73.15 110.87 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -50.51 149.05 3.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 71.41 110.906 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.6 p -156.65 144.53 19.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 71.0 110.866 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.66 -13.85 33.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 74.32 110.855 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -162.13 176.71 10.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 73.25 110.858 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.25 -9.22 58.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 65.11 110.92 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -72.14 -29.18 63.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 72.22 110.931 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -66.74 -28.92 68.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 74.11 110.877 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 90.9 m -61.62 127.11 29.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 65.34 110.919 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.1 t -72.87 -67.46 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 75.32 110.886 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -158.21 138.27 12.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 73.25 110.917 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 64.31 19.79 11.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 74.31 110.887 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.9 mp -122.6 151.92 40.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 74.21 110.958 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.2 m -141.03 128.19 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 72.34 111.18 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.9 t -60.09 113.59 2.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 74.43 110.835 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.62 112.48 24.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 73.33 110.821 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.5 m -68.23 -12.57 61.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 60.25 110.84 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 35.4 ttt180 -72.11 -45.92 58.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 75.21 110.884 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.455 ' HB3' ' CE2' ' A' ' 28' ' ' TRP . 13.5 m95 -96.58 -5.65 38.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 74.4 110.957 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt 69.94 25.16 4.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 75.02 110.842 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.455 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.71 168.51 16.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 74.44 110.893 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.57 137.03 52.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.26 -0.427 . . . . 74.42 110.875 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.5 m -126.11 153.4 34.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 72.55 111.197 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -54.74 114.58 1.76 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.427 . . . . 75.23 110.896 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.9 136.75 27.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 73.11 111.106 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.9 m -85.19 160.55 54.44 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-O 121.67 0.748 . . . . 72.11 110.822 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -15.49 37.04 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.68 2.253 . . . . 61.21 112.33 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.271 -0.422 . . . . 74.13 110.886 -179.994 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.852 0.358 . . . . 73.41 110.884 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -57.62 173.24 0.3 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.09 -0.504 . . . . 73.01 110.885 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.1 p -130.22 -176.75 4.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 72.02 110.876 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.77 -154.98 0.15 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.757 -0.735 . . . . 51.2 112.469 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -170.56 172.35 5.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.752 0.31 . . . . 74.02 110.882 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -74.65 142.95 44.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 75.24 110.863 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 7.1 mtt 61.98 20.78 11.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 74.33 110.821 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.0 m0 -106.05 129.46 54.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.318 -0.401 . . . . 73.15 110.908 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.5 mptt -50.57 150.99 2.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 71.41 110.897 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.9 p -158.99 145.28 16.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 71.0 110.928 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -90.15 -13.66 35.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 74.32 110.92 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -163.46 175.18 11.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 73.25 110.941 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.41 -9.2 58.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 65.11 110.899 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -72.14 -30.1 64.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 72.22 110.907 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.85 -25.36 66.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 74.11 110.881 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.0 m -63.86 128.74 37.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 65.34 110.906 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.9 t -73.38 -68.24 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 75.32 110.839 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.9 137.18 11.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 73.25 110.921 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.4 t0 65.26 19.5 11.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 74.31 110.846 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 mp -122.36 151.36 41.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.449 . . . . 74.21 110.887 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.9 m -140.45 128.05 23.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 72.34 111.12 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.2 t -60.17 113.7 2.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 74.43 110.855 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.53 112.78 25.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 73.33 110.872 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 76.3 p -68.22 -12.73 61.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 60.25 110.868 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 12.3 ttt85 -72.02 -46.31 57.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 75.21 110.909 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.448 ' HB3' ' CE2' ' A' ' 28' ' ' TRP . 13.2 m95 -96.23 -5.47 40.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.466 . . . . 74.4 110.935 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp 69.8 25.07 5.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 75.02 110.87 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.448 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.55 168.42 16.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.212 -0.449 . . . . 74.44 110.954 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.43 137.22 52.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 74.42 110.891 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.2 m -126.32 153.38 34.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 72.55 111.117 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -54.36 113.13 1.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 75.23 110.955 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.28 150.13 43.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 73.11 111.082 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.0 m -75.09 160.54 80.17 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.705 0.764 . . . . 72.11 110.839 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -19.19 36.65 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.74 2.293 . . . . 61.21 112.325 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 74.13 110.886 -179.943 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.924 0.392 . . . . 73.010000000000005 110.875 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.0 p -131.16 -176.81 4.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 72.019999999999996 110.862 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.63 -155.09 0.15 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.725 -0.75 . . . . 51.200000000000003 112.502 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -170.51 172.38 6.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.849 0.357 . . . . 72.0 110.935 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -74.52 142.8 44.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 75.239999999999995 110.857 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.6 mtt 62.02 20.78 11.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 74.329999999999998 110.89 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.1 m0 -106.09 128.93 54.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 73.150000000000006 110.92 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -50.46 149.66 3.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 71.409999999999997 110.887 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.0 p -156.59 141.78 17.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 71.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -87.91 -12.25 45.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 64.420000000000002 110.879 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -162.52 179.73 7.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 73.25 110.915 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.7 p -78.03 -9.19 59.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 64.120000000000005 110.827 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 49.0 m-20 -72.99 -27.69 61.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 72.219999999999999 110.88 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -66.87 -28.75 68.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 74.109999999999999 110.881 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 88.3 m -61.36 126.96 29.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 65.340000000000003 110.911 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.9 t -72.75 -67.06 0.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 71.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -159.33 137.46 10.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 73.25 110.903 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.478 ' O ' HD12 ' A' ' 20' ' ' LEU . 6.6 m-20 65.3 19.94 11.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 74.310000000000002 110.856 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.478 HD12 ' O ' ' A' ' 19' ' ' ASP . 2.0 mp -122.4 154.02 38.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 74.209999999999994 110.888 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.3 m -142.44 128.24 17.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 71.530000000000001 111.139 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.3 t -61.17 113.31 2.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 74.430000000000007 110.876 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.57 112.61 24.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 73.329999999999998 110.847 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.2 p -67.9 -12.75 61.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 53.399999999999999 110.853 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 35.7 ttt180 -72.09 -47.11 53.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 75.209999999999994 110.849 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.636 ' CD1' HG11 ' A' ' 30' ' ' VAL . 13.2 m95 -95.13 -5.41 44.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.236 -0.438 . . . . 65.349999999999994 110.935 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.9 mmtp 69.8 25.02 5.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 75.019999999999996 110.911 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.47 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.59 168.73 16.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 74.439999999999998 110.961 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -70.01 137.14 51.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 65.420000000000002 110.879 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.636 HG11 ' CD1' ' A' ' 26' ' ' TRP . 8.3 m -124.92 154.3 32.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 70.230000000000004 111.103 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -55.74 114.41 1.87 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 75.230000000000004 110.892 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.43 151.92 3.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 73.109999999999999 111.113 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 121.631 0.729 . . . . 42.229999999999997 110.887 -179.788 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.865 0.364 . . . . 73.010000000000005 110.903 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.0 p -130.15 -176.74 4.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 72.019999999999996 110.864 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.72 -155.02 0.15 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.766 -0.731 . . . . 51.200000000000003 112.507 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -170.61 172.35 5.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.762 0.315 . . . . 72.0 110.951 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -74.57 142.75 44.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 75.239999999999995 110.933 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 4.6 mtt 62.06 20.84 11.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 74.329999999999998 110.879 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.1 m0 -106.13 129.17 54.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.452 . . . . 73.150000000000006 110.958 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.66 150.31 2.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.273 -0.421 . . . . 71.409999999999997 110.874 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.4 p -157.49 142.21 16.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 71.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.3 ptpm? -88.08 -12.63 43.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 64.420000000000002 110.869 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -162.1 179.72 7.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 73.25 110.917 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.97 -9.2 58.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 64.120000000000005 110.848 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -72.99 -27.65 61.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 72.219999999999999 110.88 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -66.86 -28.77 68.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 74.109999999999999 110.866 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 89.8 m -61.36 127.55 32.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 65.340000000000003 110.902 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.9 t -73.23 -66.85 0.63 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 71.0 110.834 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.44 137.59 10.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 73.25 110.958 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.478 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.1 OUTLIER 65.16 19.94 11.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.424 . . . . 74.310000000000002 110.898 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.478 HD12 ' O ' ' A' ' 19' ' ' ASP . 2.0 mp -122.45 154.56 37.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.252 -0.431 . . . . 74.209999999999994 110.946 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.7 m -142.88 128.25 16.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 71.530000000000001 111.08 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.5 t -61.48 113.26 2.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 74.430000000000007 110.918 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.63 111.98 23.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 73.329999999999998 110.813 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.3 t -66.77 -14.43 62.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 53.399999999999999 110.899 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.4 ttt180 -70.24 -48.58 56.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 75.209999999999994 110.828 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.635 ' CD1' HG11 ' A' ' 30' ' ' VAL . 12.9 m95 -93.79 -5.19 48.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 65.349999999999994 110.89 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt 69.59 25.07 5.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 75.019999999999996 110.898 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.472 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.63 168.45 16.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 74.439999999999998 110.876 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.69 137.34 52.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 65.420000000000002 110.859 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.635 HG11 ' CD1' ' A' ' 26' ' ' TRP . 8.4 m -125.32 154.23 33.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 70.230000000000004 111.173 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -55.3 114.31 1.75 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.438 . . . . 75.230000000000004 110.964 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.06 138.1 38.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 73.109999999999999 111.108 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-O 121.637 0.732 . . . . 42.229999999999997 110.901 -179.778 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.844 0.354 . . . . 73.010000000000005 110.913 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.2 p -130.87 -176.77 4.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 72.019999999999996 110.952 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.81 -154.76 0.15 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.65 -0.786 . . . . 51.200000000000003 112.539 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -170.62 172.27 5.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.848 0.356 . . . . 72.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -74.54 142.88 44.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 75.239999999999995 110.951 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.2 mtt 61.97 20.98 11.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 74.329999999999998 110.93 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.0 m0 -106.25 128.97 54.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 73.150000000000006 110.945 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -50.57 148.79 3.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 71.409999999999997 110.955 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.5 p -155.29 144.26 20.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 71.0 110.867 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.9 ptpp? -89.96 -13.47 36.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 64.420000000000002 110.912 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.8 m-20 -162.13 179.71 7.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 73.25 110.863 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.6 p -77.13 -9.08 58.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 64.120000000000005 110.946 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -73.58 -27.99 61.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.06 -0.518 . . . . 72.219999999999999 110.855 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.83 -28.03 68.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 74.109999999999999 110.845 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 88.0 m -62.57 127.51 31.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 65.340000000000003 110.833 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.4 t -72.85 -67.97 0.52 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 71.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 tppt? -158.18 137.41 11.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 73.25 110.94 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.475 ' O ' HD12 ' A' ' 20' ' ' LEU . 7.7 m-20 65.19 19.91 11.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.443 . . . . 74.310000000000002 110.852 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.475 HD12 ' O ' ' A' ' 19' ' ' ASP . 2.0 mp -122.37 153.24 39.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 74.209999999999994 110.89 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.6 m -141.94 128.2 19.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 71.530000000000001 111.119 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.3 t -60.85 113.6 2.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 74.430000000000007 110.853 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.64 112.73 24.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.482 . . . . 73.329999999999998 110.873 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 80.7 p -68.14 -12.62 61.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 53.399999999999999 110.874 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.3 ttt85 -72.19 -46.79 54.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 75.209999999999994 110.928 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.638 ' CD1' HG11 ' A' ' 30' ' ' VAL . 12.9 m95 -95.65 -5.45 42.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 65.349999999999994 110.907 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.3 mmtt 69.82 25.07 5.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 75.019999999999996 110.883 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.471 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.51 168.36 16.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 74.439999999999998 110.912 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.47 137.15 52.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 65.420000000000002 110.951 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.638 HG11 ' CD1' ' A' ' 26' ' ' TRP . 9.6 m -125.29 153.97 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 70.230000000000004 111.156 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -55.63 113.47 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 75.230000000000004 110.895 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.42 141.99 45.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.119 -0.492 . . . . 73.109999999999999 111.126 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 121.704 0.764 . . . . 42.229999999999997 110.894 -179.822 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.87 0.367 . . . . 73.010000000000005 110.922 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.6 p -130.27 -176.73 4.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 72.019999999999996 110.86 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.5 -154.81 0.21 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.749 -0.738 . . . . 51.200000000000003 112.479 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -170.5 172.31 6.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.787 0.327 . . . . 72.0 110.912 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -74.52 142.65 44.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 75.239999999999995 110.871 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 62.15 21.25 12.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 74.329999999999998 110.895 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.1 m0 -106.53 128.99 54.54 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.214 -0.448 . . . . 73.150000000000006 110.868 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.55 149.76 3.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 71.409999999999997 110.912 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.2 p -156.9 142.25 17.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 71.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.5 mtmm -87.82 -13.78 41.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 64.420000000000002 110.863 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -160.94 179.75 8.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.261 -0.427 . . . . 73.25 110.835 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.3 p -78.09 -9.0 58.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 64.120000000000005 110.796 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -73.09 -27.9 61.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 72.219999999999999 110.858 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -66.87 -27.26 67.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 74.109999999999999 110.819 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 89.2 m -62.96 126.7 28.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 65.340000000000003 110.879 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.9 t -72.11 -68.46 0.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 71.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.87 137.34 11.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 73.25 110.881 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.482 ' O ' HD12 ' A' ' 20' ' ' LEU . 4.8 t70 65.28 20.24 11.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 74.310000000000002 110.844 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.482 HD12 ' O ' ' A' ' 19' ' ' ASP . 2.1 mp -122.59 153.61 39.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 74.209999999999994 110.905 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.441 HG13 ' HB2' ' A' ' 32' ' ' ALA . 30.7 m -142.33 128.27 17.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 71.530000000000001 111.108 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.0 t -60.9 113.3 2.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 74.430000000000007 110.911 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.69 112.18 24.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 73.329999999999998 110.839 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 93.9 p -67.3 -14.06 62.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 53.399999999999999 110.869 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.1 ttt85 -70.61 -47.17 61.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 75.209999999999994 110.841 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.636 ' CD1' HG11 ' A' ' 30' ' ' VAL . 13.2 m95 -95.31 -5.37 43.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 65.349999999999994 110.956 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.1 mmmt 69.65 25.14 5.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 75.019999999999996 110.871 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.473 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.62 168.62 16.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 74.439999999999998 110.88 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.88 137.33 51.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 65.420000000000002 110.85 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.636 HG11 ' CD1' ' A' ' 26' ' ' TRP . 8.4 m -125.48 154.43 34.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 70.230000000000004 111.1 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -55.88 114.25 1.83 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 75.230000000000004 110.904 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.441 ' HB2' HG13 ' A' ' 21' ' ' VAL . . . -58.52 138.68 56.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 73.109999999999999 111.079 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 121.595 0.712 . . . . 42.229999999999997 110.885 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.909 0.385 . . . . 73.010000000000005 110.912 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.1 p -130.29 -176.71 4.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 72.019999999999996 110.9 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.97 -154.89 0.16 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.73 -0.747 . . . . 51.200000000000003 112.54 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -170.55 172.41 5.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.813 0.339 . . . . 72.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -74.72 142.93 44.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 75.239999999999995 110.887 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 3.3 mtt 61.89 20.83 11.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 74.329999999999998 110.922 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.0 m0 -106.03 129.28 54.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.187 -0.46 . . . . 73.150000000000006 110.867 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.9 mptt -50.79 150.43 2.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 71.409999999999997 110.886 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.5 p -157.48 141.89 16.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 71.0 110.934 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.8 mtmt -88.11 -12.13 45.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 64.420000000000002 110.897 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -162.2 179.71 7.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 73.25 110.893 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.2 p -78.41 -9.11 59.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 64.120000000000005 110.908 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 56.1 m-20 -73.21 -27.31 61.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.045 -0.525 . . . . 72.219999999999999 110.985 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -66.95 -28.63 68.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 74.109999999999999 110.833 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 89.1 m -61.51 127.94 33.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 65.340000000000003 110.908 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.3 t -73.37 -67.2 0.6 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 71.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -159.09 137.54 10.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 73.25 110.919 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.477 ' O ' HD12 ' A' ' 20' ' ' LEU . 1.4 t70 65.12 20.01 11.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 74.310000000000002 110.845 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.477 HD12 ' O ' ' A' ' 19' ' ' ASP . 2.0 mp -122.44 154.29 37.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 74.209999999999994 110.859 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.6 m -142.58 128.23 17.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 71.530000000000001 111.115 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.6 t -61.38 113.36 2.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 74.430000000000007 110.798 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.64 112.01 23.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 73.329999999999998 110.868 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.8 t -66.78 -14.86 63.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 53.399999999999999 110.862 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 42.7 ttt180 -69.81 -48.85 57.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 75.209999999999994 110.898 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.636 ' CD1' HG11 ' A' ' 30' ' ' VAL . 13.0 m95 -93.42 -5.16 49.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 65.349999999999994 110.921 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.0 mmmm 69.42 25.04 5.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 75.019999999999996 110.933 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.473 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.52 168.64 16.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 74.439999999999998 110.919 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.87 137.39 51.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 65.420000000000002 110.876 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.636 HG11 ' CD1' ' A' ' 26' ' ' TRP . 9.0 m -125.54 154.23 33.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 70.230000000000004 111.127 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -55.23 114.75 1.91 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 75.230000000000004 110.882 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.73 157.83 2.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 73.109999999999999 111.054 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 121.651 0.739 . . . . 42.229999999999997 110.869 -179.874 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.911 0.386 . . . . 73.010000000000005 110.897 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.0 p -130.24 -176.78 4.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 72.019999999999996 110.913 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.9 -154.74 0.15 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.753 -0.737 . . . . 51.200000000000003 112.417 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -170.58 172.31 5.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.817 0.341 . . . . 72.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -74.55 142.82 44.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 75.239999999999995 110.966 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.0 mtt 61.97 20.94 11.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 74.329999999999998 110.943 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 15.9 m0 -106.18 129.1 54.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 73.150000000000006 110.96 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.72 149.91 3.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 71.409999999999997 110.836 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.9 p -156.47 144.22 19.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 71.0 110.927 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -90.82 -8.95 48.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 64.420000000000002 110.805 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -166.23 179.71 5.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 73.25 110.893 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.83 -9.19 58.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 64.120000000000005 110.883 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -73.33 -28.16 61.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 72.219999999999999 110.96 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.86 -27.93 67.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.117 -0.492 . . . . 74.109999999999999 110.803 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 88.7 m -62.24 128.0 34.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 65.340000000000003 110.869 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 25.8 t -73.25 -68.1 0.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 71.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -158.28 137.28 11.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 73.25 110.891 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.48 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.1 OUTLIER 65.29 20.23 11.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 74.310000000000002 110.836 179.827 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.48 HD12 ' O ' ' A' ' 19' ' ' ASP . 2.0 mp -122.52 154.41 37.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 74.209999999999994 110.994 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.4 m -142.73 128.33 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 71.530000000000001 111.129 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.6 t -61.46 113.26 2.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 74.430000000000007 110.911 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.53 111.92 23.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 73.329999999999998 110.894 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.8 t -66.89 -13.98 62.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 53.399999999999999 110.849 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 46.4 ttt180 -70.71 -48.7 53.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 75.209999999999994 110.857 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.632 ' CD1' HG11 ' A' ' 30' ' ' VAL . 13.0 m95 -93.57 -5.3 49.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 65.349999999999994 110.953 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.5 mmmt 69.71 25.01 5.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 75.019999999999996 110.92 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.47 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.56 168.59 16.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.268 -0.423 . . . . 74.439999999999998 110.932 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.86 137.25 51.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 65.420000000000002 110.876 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.632 HG11 ' CD1' ' A' ' 26' ' ' TRP . 8.1 m -125.16 154.49 33.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.106 -0.497 . . . . 70.230000000000004 111.126 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -55.32 114.38 1.78 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 75.230000000000004 110.93 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.07 149.63 27.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 73.109999999999999 111.124 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 CA-C-O 121.647 0.737 . . . . 42.229999999999997 110.861 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.924 0.393 . . . . 73.010000000000005 110.875 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.7 p -129.87 -176.53 3.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 72.019999999999996 110.919 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.34 -155.91 0.16 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.762 -0.732 . . . . 51.200000000000003 112.53 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -170.44 172.46 6.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.779 0.323 . . . . 72.0 110.964 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -74.61 142.9 44.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.294 -0.412 . . . . 75.239999999999995 110.893 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER 61.91 20.83 11.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 74.329999999999998 110.874 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 15.8 m0 -106.01 129.1 54.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 73.150000000000006 110.87 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -50.7 150.54 2.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 71.409999999999997 110.9 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.9 p -157.81 142.21 16.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 71.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -88.36 -12.31 43.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 64.420000000000002 110.843 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -162.28 179.73 7.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.205 -0.452 . . . . 73.25 110.895 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.11 -9.21 59.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 64.120000000000005 110.822 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -72.86 -27.71 62.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 72.219999999999999 110.837 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -66.82 -28.7 68.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 74.109999999999999 110.897 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 94.3 m -62.01 127.94 33.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 65.340000000000003 110.865 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 21.8 t -73.69 -66.72 0.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 71.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -159.66 138.39 10.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.11 -0.495 . . . . 73.25 110.873 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.479 ' O ' HD12 ' A' ' 20' ' ' LEU . 33.0 t0 65.0 19.37 11.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 74.310000000000002 110.844 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.479 HD12 ' O ' ' A' ' 19' ' ' ASP . 2.0 mp -122.4 155.21 36.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 74.209999999999994 110.962 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.6 m -143.8 128.42 14.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 71.530000000000001 111.083 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.6 t -61.51 113.49 2.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 74.430000000000007 110.854 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.57 112.77 25.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 73.329999999999998 110.85 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.3 p -68.02 -12.64 61.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 53.399999999999999 110.863 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.3 ttt85 -72.25 -47.28 51.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.13 -0.486 . . . . 75.209999999999994 110.878 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.637 ' CD1' HG11 ' A' ' 30' ' ' VAL . 13.2 m95 -94.92 -5.48 44.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 65.349999999999994 110.902 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.8 mmtt 69.8 25.18 5.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 75.019999999999996 110.874 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.473 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.66 168.5 16.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.277 -0.42 . . . . 74.439999999999998 110.898 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.72 137.17 51.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 65.420000000000002 110.857 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.637 HG11 ' CD1' ' A' ' 26' ' ' TRP . 8.5 m -125.15 154.67 33.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.096 -0.502 . . . . 70.230000000000004 111.129 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -55.64 114.19 1.76 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 75.230000000000004 110.87 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.72 126.61 20.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 73.109999999999999 111.148 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 C--N 1.33 -0.273 0 CA-C-O 121.585 0.707 . . . . 42.229999999999997 110.904 -179.794 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.882 0.372 . . . . 73.010000000000005 110.907 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.2 p -130.26 -176.74 4.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 72.019999999999996 110.92 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.33 -154.72 0.19 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.697 -0.764 . . . . 51.200000000000003 112.501 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -170.53 172.42 5.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.83 0.348 . . . . 72.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -74.52 142.78 44.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 75.239999999999995 110.896 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 6.8 mtt 62.02 20.92 11.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 74.329999999999998 110.843 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.1 m0 -106.15 129.11 54.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 73.150000000000006 110.918 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.65 149.92 3.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.43 . . . . 71.409999999999997 110.884 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.5 p -156.91 141.82 17.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 71.0 110.842 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.5 ptpm? -88.03 -12.58 43.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 64.420000000000002 110.876 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -161.63 179.88 7.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 73.25 110.861 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.1 p -78.48 -9.17 59.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 64.120000000000005 110.828 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -73.33 -27.32 61.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 72.219999999999999 110.857 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -66.85 -28.61 68.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.46 . . . . 74.109999999999999 110.844 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 89.0 m -61.68 127.52 31.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 65.340000000000003 110.857 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.1 t -72.88 -67.28 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 71.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.99 137.3 10.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 73.25 110.889 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.474 ' O ' HD12 ' A' ' 20' ' ' LEU . 9.8 m-20 65.19 19.74 11.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 74.310000000000002 110.911 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.474 HD12 ' O ' ' A' ' 19' ' ' ASP . 1.9 mp -122.27 152.68 39.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 74.209999999999994 110.954 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.3 m -141.26 128.21 20.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 71.530000000000001 111.083 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.5 t -60.92 113.35 2.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 74.430000000000007 110.896 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.53 112.46 24.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 73.329999999999998 110.848 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.8 p -67.5 -13.39 62.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 53.399999999999999 110.835 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.2 ttt85 -71.37 -47.63 55.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 75.209999999999994 110.873 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.638 ' CD1' HG11 ' A' ' 30' ' ' VAL . 12.8 m95 -94.74 -5.33 45.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 65.349999999999994 110.91 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.3 mmmt 69.72 25.03 5.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 75.019999999999996 110.872 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.471 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.62 168.52 16.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.297 -0.41 . . . . 74.439999999999998 110.969 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.77 137.34 51.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 65.420000000000002 110.857 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.638 HG11 ' CD1' ' A' ' 26' ' ' TRP . 9.6 m -125.3 153.92 33.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.492 . . . . 70.230000000000004 111.156 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -55.82 114.78 2.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 75.230000000000004 110.937 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.68 157.29 7.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 73.109999999999999 111.141 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 121.66 0.743 . . . . 42.229999999999997 110.878 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.883 0.373 . . . . 73.010000000000005 110.885 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.3 p -130.52 -176.73 4.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 72.019999999999996 110.9 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.27 -154.85 0.19 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.804 -0.712 . . . . 51.200000000000003 112.471 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -170.6 172.35 5.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.797 0.332 . . . . 72.0 110.899 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -74.59 142.87 44.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 75.239999999999995 110.911 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER 61.88 20.94 11.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 74.329999999999998 110.957 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.0 m0 -106.15 129.2 54.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 73.150000000000006 110.907 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.1 mptt -50.48 150.75 2.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.293 -0.412 . . . . 71.409999999999997 110.941 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.5 p -158.21 143.18 16.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 71.0 110.853 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.92 -13.43 39.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 64.420000000000002 110.928 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -161.62 179.46 8.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 73.25 110.887 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.4 p -77.29 -9.12 58.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 64.120000000000005 110.817 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -72.55 -28.22 62.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 72.219999999999999 110.853 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -66.95 -28.79 68.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 74.109999999999999 110.779 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 90.3 m -61.37 126.97 29.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 65.340000000000003 110.873 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.9 t -72.84 -66.5 0.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 71.0 110.935 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.99 137.74 9.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 73.25 110.93 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.474 ' O ' HD12 ' A' ' 20' ' ' LEU . 6.7 t0 65.17 19.73 11.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 74.310000000000002 110.909 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.474 HD12 ' O ' ' A' ' 19' ' ' ASP . 1.9 mp -122.27 155.0 36.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 74.209999999999994 110.932 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.3 m -143.23 128.17 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 71.530000000000001 111.157 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.5 t -61.44 113.24 2.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.5 . . . . 74.430000000000007 110.882 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.56 112.72 24.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 73.329999999999998 110.888 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.1 t -67.91 -12.78 61.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 53.399999999999999 110.916 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 47.9 ttt180 -72.12 -47.21 52.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.049 -0.523 . . . . 75.209999999999994 110.854 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.633 ' CD1' HG11 ' A' ' 30' ' ' VAL . 13.3 m95 -94.98 -5.34 44.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 65.349999999999994 110.924 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.1 mmtp 69.93 25.0 5.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.286 -0.416 . . . . 75.019999999999996 110.866 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.469 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.74 168.86 15.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 74.439999999999998 110.939 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -70.15 137.1 50.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.288 -0.415 . . . . 65.420000000000002 110.852 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.633 HG11 ' CD1' ' A' ' 26' ' ' TRP . 8.5 m -124.52 154.57 32.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 70.230000000000004 111.149 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -55.93 113.97 1.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 75.230000000000004 110.999 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.24 130.19 30.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 73.109999999999999 111.095 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 121.615 0.721 . . . . 42.229999999999997 110.852 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.875 0.369 . . . . 73.010000000000005 110.892 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.0 p -131.58 -176.8 4.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 72.019999999999996 110.86 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.68 -155.06 0.15 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.757 -0.735 . . . . 51.200000000000003 112.53 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -170.53 172.3 6.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.807 0.337 . . . . 72.0 110.849 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -74.58 143.01 44.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.281 -0.418 . . . . 75.239999999999995 110.906 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 5.7 mtt 61.87 20.8 11.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 74.329999999999998 110.853 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.0 m0 -106.07 129.43 54.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 73.150000000000006 110.918 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.1 mptt -50.42 151.14 2.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 71.409999999999997 110.911 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.8 p -159.73 146.17 16.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 71.0 110.917 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.5 mmpt? -90.88 -14.73 31.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 64.420000000000002 110.932 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -162.81 176.01 10.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 73.25 110.846 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.41 -9.14 58.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 64.120000000000005 110.873 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -71.08 -30.69 66.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 72.219999999999999 110.917 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.89 -27.88 67.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 74.109999999999999 110.881 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 86.0 m -61.62 127.72 32.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 65.340000000000003 110.914 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.3 t -73.24 -67.64 0.56 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 71.0 110.867 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.27 137.13 11.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 73.25 110.893 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.48 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.2 OUTLIER 65.19 19.81 11.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 74.310000000000002 110.922 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.48 HD12 ' O ' ' A' ' 19' ' ' ASP . 2.0 mp -122.48 151.54 41.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 74.209999999999994 110.865 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.487 HG13 ' HB2' ' A' ' 32' ' ' ALA . 16.0 m -140.51 128.06 23.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 71.530000000000001 111.161 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.1 t -60.29 113.59 2.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 74.430000000000007 110.951 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.59 112.78 25.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 73.329999999999998 110.893 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.3 t -68.12 -12.67 61.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.087 -0.506 . . . . 53.399999999999999 110.839 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.6 ttt85 -72.18 -47.0 53.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 75.209999999999994 110.889 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.641 ' CD1' HG11 ' A' ' 30' ' ' VAL . 13.1 m95 -95.37 -5.5 43.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 65.349999999999994 110.931 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.0 mmtp 69.83 25.11 5.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 75.019999999999996 110.868 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.473 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.66 168.71 16.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 74.439999999999998 110.877 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.75 137.21 51.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 65.420000000000002 110.858 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.641 HG11 ' CD1' ' A' ' 26' ' ' TRP . 10.8 m -125.75 153.83 34.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 70.230000000000004 111.153 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -54.89 112.75 1.11 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.229 -0.441 . . . . 75.230000000000004 110.922 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.487 ' HB2' HG13 ' A' ' 21' ' ' VAL . . . -63.26 133.85 54.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 73.109999999999999 111.175 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 C--N 1.328 -0.352 0 CA-C-O 121.683 0.754 . . . . 42.229999999999997 110.834 -179.749 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.851 0.358 . . . . 73.010000000000005 110.917 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.2 p -130.93 -176.78 4.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 72.019999999999996 110.842 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.06 -154.92 0.17 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.734 -0.746 . . . . 51.200000000000003 112.525 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -170.59 172.33 5.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.863 0.363 . . . . 72.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -74.55 142.7 44.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 75.239999999999995 110.865 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 62.15 21.23 12.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 74.329999999999998 110.899 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 15.9 m0 -106.45 128.68 54.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 73.150000000000006 110.909 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -50.4 147.18 4.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 71.409999999999997 110.891 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.7 p -153.89 141.5 19.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 71.0 110.851 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -88.27 -10.36 49.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 64.420000000000002 110.907 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -164.14 179.78 6.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 73.25 110.831 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.6 p -78.5 -9.28 59.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 64.120000000000005 110.838 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 32.5 m-20 -73.13 -27.68 61.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 72.219999999999999 110.906 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -66.88 -28.29 68.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 74.109999999999999 110.873 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 90.1 m -61.78 126.41 27.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.267 -0.424 . . . . 65.340000000000003 110.893 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.2 t -72.19 -67.35 0.55 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 71.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.1 tppt? -158.59 137.52 11.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 73.25 110.861 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.477 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.1 OUTLIER 64.88 20.02 12.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 74.310000000000002 110.925 179.887 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.477 HD12 ' O ' ' A' ' 19' ' ' ASP . 2.0 mp -122.5 152.09 40.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 74.209999999999994 110.928 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 17.0 m -141.03 128.15 21.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 71.530000000000001 111.207 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.9 t -60.11 113.32 2.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 74.430000000000007 110.893 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.54 112.12 24.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 73.329999999999998 110.903 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.3 m -67.22 -14.56 63.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 53.399999999999999 110.833 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.6 ttt180 -70.03 -46.97 63.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 75.209999999999994 110.894 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.639 ' CD1' HG11 ' A' ' 30' ' ' VAL . 13.0 m95 -95.66 -5.28 42.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.167 -0.47 . . . . 65.349999999999994 110.885 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.3 mmmt 69.66 25.05 5.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 75.019999999999996 110.899 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.474 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.49 169.17 15.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.202 -0.454 . . . . 74.439999999999998 110.964 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -70.22 137.26 50.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 65.420000000000002 110.913 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.639 HG11 ' CD1' ' A' ' 26' ' ' TRP . 10.2 m -126.16 154.0 35.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 70.230000000000004 111.115 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -54.98 113.41 1.33 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 75.230000000000004 110.91 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.44 154.63 3.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 73.109999999999999 111.095 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 121.654 0.74 . . . . 42.229999999999997 110.868 -179.814 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.918 0.39 . . . . 73.010000000000005 110.843 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.2 p -130.27 -176.77 4.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 72.019999999999996 110.886 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.19 -155.05 0.19 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.769 -0.729 . . . . 51.200000000000003 112.49 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -170.61 172.43 5.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.846 0.355 . . . . 72.0 110.859 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -74.7 142.82 44.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 75.239999999999995 110.897 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.0 mtt 61.97 21.02 12.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 74.329999999999998 110.915 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.2 m0 -106.24 129.28 54.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 73.150000000000006 110.894 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -50.44 151.0 2.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 71.409999999999997 110.912 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.1 p -159.07 143.94 15.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 71.0 110.864 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.98 -12.74 37.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 64.420000000000002 110.838 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -162.94 175.99 10.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 73.25 110.895 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.0 -9.24 58.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 64.120000000000005 110.822 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -71.75 -29.12 64.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 72.219999999999999 110.88 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -66.78 -28.57 68.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 74.109999999999999 110.919 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 88.7 m -61.32 127.26 30.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 65.340000000000003 110.88 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.3 t -73.02 -66.17 0.71 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 71.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.28 137.74 9.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 73.25 110.851 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.476 ' O ' HD12 ' A' ' 20' ' ' LEU . 8.9 m-20 65.12 19.67 11.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 74.310000000000002 110.945 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.476 HD12 ' O ' ' A' ' 19' ' ' ASP . 2.0 mp -122.31 154.44 37.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 74.209999999999994 110.886 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.6 m -142.75 128.16 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.281 -0.418 . . . . 71.530000000000001 111.129 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.5 t -61.32 113.15 2.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 74.430000000000007 110.863 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.58 111.97 23.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 73.329999999999998 110.85 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.3 m -66.74 -14.94 63.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.492 . . . . 53.399999999999999 110.849 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -69.79 -48.69 58.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 75.209999999999994 110.926 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.637 ' CD1' HG11 ' A' ' 30' ' ' VAL . 13.6 m95 -93.43 -5.29 49.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 65.349999999999994 110.884 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 69.5 25.12 5.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 75.019999999999996 110.921 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.474 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.71 168.67 15.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.192 -0.458 . . . . 74.439999999999998 110.924 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.94 137.22 51.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 65.420000000000002 110.926 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.637 HG11 ' CD1' ' A' ' 26' ' ' TRP . 9.0 m -125.38 154.12 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 70.230000000000004 111.145 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -54.76 113.55 1.36 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 75.230000000000004 110.949 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.97 142.27 20.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 73.109999999999999 111.152 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 121.673 0.749 . . . . 42.229999999999997 110.836 -179.734 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.837 0.351 . . . . 73.010000000000005 110.893 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.2 p -130.26 -176.7 4.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 72.019999999999996 110.837 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.31 -155.38 0.21 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.728 -0.749 . . . . 51.200000000000003 112.495 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -170.51 172.51 5.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.792 0.33 . . . . 72.0 110.918 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -74.66 142.87 44.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 75.239999999999995 110.889 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.9 mtt 61.94 20.91 11.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 74.329999999999998 110.842 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.0 m0 -106.03 129.09 54.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.238 -0.437 . . . . 73.150000000000006 110.908 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.5 151.01 2.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 71.409999999999997 110.95 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.5 p -159.57 145.58 16.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.288 -0.415 . . . . 71.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.0 mttt -90.16 -9.49 48.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 64.420000000000002 110.904 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -167.94 179.62 4.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 73.25 110.854 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.22 -9.13 58.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 64.120000000000005 110.859 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -70.51 -30.89 67.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.067 -0.515 . . . . 72.219999999999999 110.879 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -66.84 -28.12 68.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.154 -0.476 . . . . 74.109999999999999 110.893 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 88.2 m -61.18 126.86 28.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 65.340000000000003 110.886 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.0 t -72.82 -65.65 0.77 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.451 . . . . 71.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -160.65 137.95 9.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 73.25 110.906 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.477 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.3 OUTLIER 65.08 19.53 11.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 74.310000000000002 110.875 179.903 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.477 HD12 ' O ' ' A' ' 19' ' ' ASP . 2.0 mp -122.39 154.32 37.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.158 -0.474 . . . . 74.209999999999994 110.917 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.5 m -142.71 128.08 16.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 71.530000000000001 111.117 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.4 t -61.22 113.05 2.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.161 -0.472 . . . . 74.430000000000007 110.881 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.54 112.02 23.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 73.329999999999998 110.845 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.1 t -66.56 -15.53 63.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 53.399999999999999 110.836 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.5 ttt180 -69.17 -49.32 57.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 75.209999999999994 110.844 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.639 ' CD1' HG11 ' A' ' 30' ' ' VAL . 13.0 m95 -92.87 -5.35 51.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 65.349999999999994 110.942 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt 69.54 25.12 5.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 75.019999999999996 110.94 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.473 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.69 168.51 16.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 74.439999999999998 110.873 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.68 137.26 51.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 65.420000000000002 110.864 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.639 HG11 ' CD1' ' A' ' 26' ' ' TRP . 8.6 m -125.46 154.28 33.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 70.230000000000004 111.124 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -55.21 113.9 1.57 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 75.230000000000004 110.958 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.44 157.29 3.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 73.109999999999999 111.108 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 121.669 0.747 . . . . 42.229999999999997 110.833 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.919 0.39 . . . . 73.010000000000005 110.897 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.2 p -130.27 -176.8 4.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 72.019999999999996 110.905 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.04 -154.76 0.16 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 51.200000000000003 112.461 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -170.55 172.38 5.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.803 0.335 . . . . 72.0 110.895 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -74.59 142.84 44.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 75.239999999999995 110.88 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.3 mtt 61.97 20.8 11.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 74.329999999999998 110.862 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 15.9 m0 -106.11 129.37 54.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 73.150000000000006 110.925 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -50.45 150.39 2.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 71.409999999999997 110.909 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.4 p -157.91 142.22 16.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 71.0 110.843 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.3 ptpm? -88.07 -13.8 40.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 64.420000000000002 110.916 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.1 p30 -161.03 179.75 8.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 73.25 110.882 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.74 -9.18 58.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 64.120000000000005 110.851 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -72.66 -27.99 62.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.055 -0.521 . . . . 72.219999999999999 110.88 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -66.82 -28.81 68.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 74.109999999999999 110.884 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 86.9 m -61.28 127.0 29.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.47 . . . . 65.340000000000003 110.824 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.1 t -72.82 -67.04 0.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 71.0 110.862 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? -159.06 137.3 10.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 73.25 110.896 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.474 ' O ' HD12 ' A' ' 20' ' ' LEU . 2.7 m-20 65.15 19.91 11.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 74.310000000000002 110.908 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.474 HD12 ' O ' ' A' ' 19' ' ' ASP . 1.9 mp -122.38 152.74 39.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 74.209999999999994 110.892 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.403 HG13 ' HB2' ' A' ' 32' ' ' ALA . 9.3 m -141.39 128.08 20.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 71.530000000000001 111.144 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.3 t -60.66 113.52 2.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 74.430000000000007 110.86 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.57 112.33 24.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 73.329999999999998 110.9 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.6 t -67.67 -13.15 61.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 53.399999999999999 110.871 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.0 ttt85 -71.85 -47.0 56.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 75.209999999999994 110.811 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.637 ' CD1' HG11 ' A' ' 30' ' ' VAL . 13.3 m95 -95.27 -5.1 44.42 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.238 -0.437 . . . . 65.349999999999994 110.939 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.9 mmtm 69.51 25.07 5.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 75.019999999999996 110.911 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.471 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.63 169.0 15.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 74.439999999999998 110.955 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -70.25 137.36 50.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 65.420000000000002 110.875 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.637 HG11 ' CD1' ' A' ' 26' ' ' TRP . 10.5 m -125.45 153.86 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 70.230000000000004 111.151 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -54.57 112.67 1.06 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 75.230000000000004 110.947 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.403 ' HB2' HG13 ' A' ' 21' ' ' VAL . . . -62.59 135.93 57.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 73.109999999999999 111.091 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 121.684 0.754 . . . . 42.229999999999997 110.787 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.921 0.391 . . . . 73.010000000000005 110.878 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.9 p -130.15 -176.81 4.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.068 -0.514 . . . . 72.019999999999996 110.888 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.32 -156.55 0.18 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.704 -0.76 . . . . 51.200000000000003 112.446 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -170.61 172.5 5.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.786 0.327 . . . . 72.0 110.942 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -74.58 142.74 44.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 75.239999999999995 110.823 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 3.4 mtt 61.95 20.99 11.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 74.329999999999998 110.885 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.2 m0 -106.12 129.27 54.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 73.150000000000006 110.934 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.53 151.33 2.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 71.409999999999997 110.884 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.0 p -159.37 143.9 15.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 71.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.47 -13.28 37.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 64.420000000000002 110.828 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -162.59 178.21 8.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 73.25 110.914 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.4 p -75.71 -9.1 58.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 64.120000000000005 110.909 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -71.59 -28.9 64.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.051 -0.522 . . . . 72.219999999999999 110.914 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -66.77 -28.9 68.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 74.109999999999999 110.915 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 98.1 m -61.9 126.69 28.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 65.340000000000003 110.903 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 20.9 t -73.08 -63.85 1.09 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 71.0 110.862 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.47 138.89 7.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 73.25 110.911 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.476 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.1 OUTLIER 65.12 18.08 11.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 74.310000000000002 110.886 179.852 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.476 HD12 ' O ' ' A' ' 19' ' ' ASP . 2.0 mp -122.17 154.14 37.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 74.209999999999994 110.945 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.5 m -142.83 128.21 16.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 71.530000000000001 111.169 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.4 t -60.86 113.43 2.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 74.430000000000007 110.804 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.62 112.5 24.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 73.329999999999998 110.822 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 80.7 p -67.96 -12.85 61.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 53.399999999999999 110.815 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.1 ttt180 -72.13 -46.46 56.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 75.209999999999994 110.873 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.637 ' CD1' HG11 ' A' ' 30' ' ' VAL . 13.9 m95 -95.73 -5.25 42.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.19 -0.459 . . . . 65.349999999999994 110.992 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt 69.81 25.04 5.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 75.019999999999996 110.926 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.468 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.77 168.98 15.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 74.439999999999998 110.876 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -70.27 137.08 50.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 65.420000000000002 110.919 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.637 HG11 ' CD1' ' A' ' 26' ' ' TRP . 9.4 m -124.92 154.58 32.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 70.230000000000004 111.149 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -55.97 114.21 1.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 75.230000000000004 110.898 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.33 161.05 1.01 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 73.109999999999999 111.124 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 121.628 0.727 . . . . 42.229999999999997 110.894 -179.795 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.928 0.394 . . . . 73.010000000000005 110.902 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.7 p -129.93 -176.54 3.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 72.019999999999996 110.947 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.24 -155.96 0.15 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.74 . . . . 51.200000000000003 112.521 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -170.51 172.49 5.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.835 0.35 . . . . 72.0 110.861 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -74.61 142.77 44.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 75.239999999999995 110.849 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.4 mtt 62.08 20.77 11.89 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.182 -0.463 . . . . 74.329999999999998 110.894 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.0 m0 -105.99 129.24 54.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.255 -0.429 . . . . 73.150000000000006 110.955 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -50.69 150.41 2.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 71.409999999999997 110.928 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.1 p -157.65 142.21 16.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 71.0 110.843 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.4 ptpm? -88.39 -12.99 41.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 64.420000000000002 110.963 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -161.54 179.1 8.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 73.25 110.923 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.1 p -77.59 -8.99 58.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 64.120000000000005 110.902 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -72.96 -27.5 61.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.098 -0.501 . . . . 72.219999999999999 110.918 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -66.88 -28.67 68.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.493 . . . . 74.109999999999999 110.876 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 92.4 m -62.05 127.27 30.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 65.340000000000003 110.917 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 21.1 t -73.21 -65.85 0.76 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 71.0 110.877 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -160.51 138.31 9.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 73.25 110.839 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.477 ' O ' HD12 ' A' ' 20' ' ' LEU . 6.7 m-20 65.05 19.05 11.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.203 -0.453 . . . . 74.310000000000002 110.894 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.477 HD12 ' O ' ' A' ' 19' ' ' ASP . 2.0 mp -122.3 154.31 37.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 74.209999999999994 110.9 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.4 m -142.8 128.24 16.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 71.530000000000001 111.077 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.6 t -61.13 113.28 2.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 74.430000000000007 110.89 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.61 112.12 24.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 73.329999999999998 110.848 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 87.5 p -67.0 -14.46 62.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 53.399999999999999 110.913 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.9 ttt85 -70.39 -48.13 57.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 75.209999999999994 110.863 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.637 ' CD1' HG11 ' A' ' 30' ' ' VAL . 13.5 m95 -94.04 -5.39 47.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 65.349999999999994 110.916 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.9 mmmt 69.68 24.97 5.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.243 -0.435 . . . . 75.019999999999996 110.926 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.473 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.54 168.61 16.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 74.439999999999998 110.932 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.83 137.22 51.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.286 -0.415 . . . . 65.420000000000002 110.879 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.637 HG11 ' CD1' ' A' ' 26' ' ' TRP . 9.2 m -125.3 154.43 33.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 70.230000000000004 111.151 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -55.67 114.41 1.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 75.230000000000004 110.946 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.9 123.58 13.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 73.109999999999999 111.095 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 121.737 0.779 . . . . 42.229999999999997 110.9 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.904 0.383 . . . . 73.010000000000005 110.873 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.7 p -130.02 -176.62 3.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 72.019999999999996 110.847 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.39 -156.03 0.17 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.667 -0.778 . . . . 51.200000000000003 112.486 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -170.54 172.45 5.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.86 0.362 . . . . 72.0 110.883 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -74.66 142.88 44.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 75.239999999999995 110.822 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.7 mtt 61.96 20.83 11.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 74.329999999999998 110.849 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 15.8 m0 -105.93 129.29 54.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.198 -0.455 . . . . 73.150000000000006 110.897 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -50.57 151.29 2.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.42 . . . . 71.409999999999997 110.937 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.7 p -159.72 144.16 14.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 71.0 110.863 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.6 mtmt -89.43 -10.44 46.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 64.420000000000002 110.871 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -165.96 179.74 5.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 73.25 110.884 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.2 p -76.95 -9.23 58.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 64.120000000000005 110.837 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -71.01 -29.77 65.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.119 -0.491 . . . . 72.219999999999999 110.861 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -66.88 -28.74 68.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 74.109999999999999 110.899 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 93.0 m -61.31 127.4 31.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 65.340000000000003 110.869 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 21.0 t -73.48 -64.81 0.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 71.0 110.929 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.96 138.31 9.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 73.25 110.928 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.474 ' O ' HD12 ' A' ' 20' ' ' LEU . 5.9 t0 64.94 18.39 11.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 74.310000000000002 110.819 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.474 HD12 ' O ' ' A' ' 19' ' ' ASP . 1.9 mp -122.15 151.6 40.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 74.209999999999994 110.946 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.461 HG13 ' HB2' ' A' ' 32' ' ' ALA . 17.7 m -140.59 128.06 23.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 71.530000000000001 111.126 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.3 t -60.17 113.51 2.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 74.430000000000007 110.872 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.61 111.84 23.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 73.329999999999998 110.819 -179.808 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.5 t -66.77 -14.98 63.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.105 -0.498 . . . . 53.399999999999999 110.882 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 16.0 ttt85 -69.68 -48.21 60.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 75.209999999999994 110.931 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.641 ' CD1' HG11 ' A' ' 30' ' ' VAL . 13.2 m95 -94.22 -5.2 47.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 65.349999999999994 110.935 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 69.56 25.06 5.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 75.019999999999996 110.891 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.471 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.62 168.62 16.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 74.439999999999998 110.911 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.75 137.35 51.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 65.420000000000002 110.823 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.641 HG11 ' CD1' ' A' ' 26' ' ' TRP . 10.4 m -126.17 153.91 34.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 70.230000000000004 111.131 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -55.22 113.2 1.29 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 75.230000000000004 110.99 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.461 ' HB2' HG13 ' A' ' 21' ' ' VAL . . . -61.32 147.02 46.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 73.109999999999999 111.114 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 121.681 0.753 . . . . 42.229999999999997 110.804 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.802 0.334 . . . . 73.010000000000005 110.969 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.9 p -130.25 -176.85 4.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 72.019999999999996 110.883 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.47 -156.23 0.18 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.738 -0.744 . . . . 51.200000000000003 112.451 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -170.52 172.45 5.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.786 0.327 . . . . 72.0 110.943 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -74.48 142.61 44.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.278 -0.419 . . . . 75.239999999999995 110.907 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER 62.11 20.83 11.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 74.329999999999998 110.858 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.3 m0 -106.09 129.18 54.23 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.244 -0.435 . . . . 73.150000000000006 110.842 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.7 mptt -50.74 150.7 2.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 71.409999999999997 110.879 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.2 p -157.92 142.35 16.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 71.0 110.847 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.1 ptpp? -88.18 -13.72 40.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 64.420000000000002 110.921 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -161.12 179.77 8.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 73.25 110.821 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.0 p -77.77 -9.18 58.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 64.120000000000005 110.847 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -72.75 -27.49 62.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.166 -0.47 . . . . 72.219999999999999 110.934 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -66.88 -28.82 68.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 74.109999999999999 110.856 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 93.1 m -62.08 127.04 29.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 65.340000000000003 110.895 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 21.8 t -73.07 -65.38 0.81 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 71.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 tppt? -161.03 138.15 8.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 73.25 110.958 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.484 ' O ' HD12 ' A' ' 20' ' ' LEU . 16.4 t0 65.37 18.94 11.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 74.310000000000002 110.902 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.484 HD12 ' O ' ' A' ' 19' ' ' ASP . 2.1 mp -122.35 154.52 37.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 74.209999999999994 110.961 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.5 m -142.96 128.15 16.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 71.530000000000001 111.121 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.7 t -61.39 113.33 2.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 74.430000000000007 110.864 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.62 112.04 23.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.118 -0.492 . . . . 73.329999999999998 110.858 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.3 t -66.73 -14.69 62.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 53.399999999999999 110.856 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.7 ttt85 -69.92 -49.3 53.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.067 -0.515 . . . . 75.209999999999994 110.91 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.631 ' CD1' HG11 ' A' ' 30' ' ' VAL . 13.0 m95 -92.91 -5.26 51.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.127 -0.488 . . . . 65.349999999999994 110.977 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt 69.58 25.08 5.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 75.019999999999996 110.901 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.473 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.64 168.87 15.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 74.439999999999998 110.82 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -70.1 137.27 51.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 65.420000000000002 110.906 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.631 HG11 ' CD1' ' A' ' 26' ' ' TRP . 8.8 m -125.49 154.44 34.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 70.230000000000004 111.158 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -55.15 114.73 1.89 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 75.230000000000004 110.895 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.81 140.32 30.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 73.109999999999999 111.11 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 121.701 0.762 . . . . 42.229999999999997 110.893 -179.806 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 N--CA 1.458 -0.052 0 CA-C-O 120.871 0.367 . . . . 73.010000000000005 110.878 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.9 p -130.22 -176.85 4.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 72.019999999999996 110.912 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.69 -155.06 0.15 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.734 -0.746 . . . . 51.200000000000003 112.477 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -170.56 172.32 5.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.855 0.359 . . . . 72.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -74.55 142.84 44.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 75.239999999999995 110.891 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 5.6 mtt 61.99 20.93 11.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 74.329999999999998 110.838 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 15.9 m0 -106.13 129.29 54.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.442 . . . . 73.150000000000006 110.87 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -50.51 149.05 3.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 71.409999999999997 110.906 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.6 p -156.65 144.53 19.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 71.0 110.866 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.66 -13.85 33.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 64.420000000000002 110.855 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -162.13 176.71 10.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 73.25 110.858 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.25 -9.22 58.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 64.120000000000005 110.92 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -72.14 -29.18 63.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 72.219999999999999 110.931 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -66.74 -28.92 68.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 74.109999999999999 110.877 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 90.9 m -61.62 127.11 29.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 65.340000000000003 110.919 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.1 t -72.87 -67.46 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 71.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -158.21 138.27 12.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 73.25 110.917 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.48 ' O ' HD12 ' A' ' 20' ' ' LEU . 1.1 m-20 64.31 19.79 11.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 74.310000000000002 110.887 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.48 HD12 ' O ' ' A' ' 19' ' ' ASP . 1.9 mp -122.6 151.92 40.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 74.209999999999994 110.958 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.2 m -141.03 128.19 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 71.530000000000001 111.18 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.9 t -60.09 113.59 2.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 74.430000000000007 110.835 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.62 112.48 24.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 73.329999999999998 110.821 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.5 m -68.23 -12.57 61.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 53.399999999999999 110.84 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 35.4 ttt180 -72.11 -45.92 58.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 75.209999999999994 110.884 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.643 ' CD1' HG11 ' A' ' 30' ' ' VAL . 13.5 m95 -96.58 -5.65 38.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 65.349999999999994 110.957 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt 69.94 25.16 4.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 75.019999999999996 110.842 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.478 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.71 168.51 16.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 74.439999999999998 110.893 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.57 137.03 52.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.26 -0.427 . . . . 65.420000000000002 110.875 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.643 HG11 ' CD1' ' A' ' 26' ' ' TRP . 11.5 m -126.11 153.4 34.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 70.230000000000004 111.197 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -54.74 114.58 1.76 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.427 . . . . 75.230000000000004 110.896 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.9 136.75 27.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 73.109999999999999 111.106 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--N 1.331 -0.225 0 CA-C-O 121.67 0.748 . . . . 42.229999999999997 110.822 -179.769 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.846 0.355 . . . . 73.010000000000005 110.885 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.1 p -130.22 -176.75 4.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 72.019999999999996 110.876 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.77 -154.98 0.15 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.757 -0.735 . . . . 51.200000000000003 112.469 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -170.56 172.35 5.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.752 0.31 . . . . 72.0 110.882 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -74.65 142.95 44.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 75.239999999999995 110.863 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 7.1 mtt 61.98 20.78 11.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 74.329999999999998 110.821 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.0 m0 -106.05 129.46 54.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.318 -0.401 . . . . 73.150000000000006 110.908 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.5 mptt -50.57 150.99 2.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 71.409999999999997 110.897 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.9 p -158.99 145.28 16.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 71.0 110.928 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -90.15 -13.66 35.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 64.420000000000002 110.92 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -163.46 175.18 11.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 73.25 110.941 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.41 -9.2 58.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 64.120000000000005 110.899 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -72.14 -30.1 64.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 72.219999999999999 110.907 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.85 -25.36 66.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 74.109999999999999 110.881 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.0 m -63.86 128.74 37.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 65.340000000000003 110.906 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.9 t -73.38 -68.24 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 71.0 110.839 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.9 137.18 11.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 73.25 110.921 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.476 ' O ' HD12 ' A' ' 20' ' ' LEU . 23.4 t0 65.26 19.5 11.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 74.310000000000002 110.846 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.476 HD12 ' O ' ' A' ' 19' ' ' ASP . 2.0 mp -122.36 151.36 41.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.449 . . . . 74.209999999999994 110.887 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.9 m -140.45 128.05 23.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 71.530000000000001 111.12 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.2 t -60.17 113.7 2.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 74.430000000000007 110.855 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.53 112.78 25.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 73.329999999999998 110.872 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 76.3 p -68.22 -12.73 61.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 53.399999999999999 110.868 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 12.3 ttt85 -72.02 -46.31 57.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 75.209999999999994 110.909 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.646 ' CD1' HG11 ' A' ' 30' ' ' VAL . 13.2 m95 -96.23 -5.47 40.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.466 . . . . 65.349999999999994 110.935 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp 69.8 25.07 5.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 75.019999999999996 110.87 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.47 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.55 168.42 16.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.212 -0.449 . . . . 74.439999999999998 110.954 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.43 137.22 52.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 65.420000000000002 110.891 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.646 HG11 ' CD1' ' A' ' 26' ' ' TRP . 11.2 m -126.32 153.38 34.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 70.230000000000004 111.117 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -54.36 113.13 1.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 75.230000000000004 110.955 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.28 150.13 43.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 73.109999999999999 111.082 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 121.705 0.764 . . . . 42.229999999999997 110.839 -179.728 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.0 p . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.891 0.377 . . . . 73.409999999999997 110.807 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -104.92 174.11 6.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.078 -0.51 . . . . 73.010000000000005 110.875 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.0 p -131.16 -176.81 4.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 72.019999999999996 110.862 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.63 -155.09 0.15 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.725 -0.75 . . . . 51.200000000000003 112.502 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -170.51 172.38 6.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.849 0.357 . . . . 72.0 110.935 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -74.52 142.8 44.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 75.239999999999995 110.857 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.6 mtt 62.02 20.78 11.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 74.329999999999998 110.89 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.1 m0 -106.09 128.93 54.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 73.150000000000006 110.92 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -50.46 149.66 3.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 71.409999999999997 110.887 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.0 p -156.59 141.78 17.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 71.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -87.91 -12.25 45.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 64.420000000000002 110.879 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -162.52 179.73 7.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 73.25 110.915 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.7 p -78.03 -9.19 59.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 64.120000000000005 110.827 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 49.0 m-20 -72.99 -27.69 61.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 72.219999999999999 110.88 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -66.87 -28.75 68.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 74.109999999999999 110.881 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 88.3 m -61.36 126.96 29.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 65.340000000000003 110.911 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.9 t -72.75 -67.06 0.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 71.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -159.33 137.46 10.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 73.25 110.903 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.478 ' O ' HD12 ' A' ' 20' ' ' LEU . 6.6 m-20 65.3 19.94 11.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 74.310000000000002 110.856 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.478 HD12 ' O ' ' A' ' 19' ' ' ASP . 2.0 mp -122.4 154.02 38.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 74.209999999999994 110.888 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.3 m -142.44 128.24 17.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 71.530000000000001 111.139 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.3 t -61.17 113.31 2.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 74.430000000000007 110.876 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.57 112.61 24.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 73.329999999999998 110.847 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.2 p -67.9 -12.75 61.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 53.399999999999999 110.853 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 35.7 ttt180 -72.09 -47.11 53.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 75.209999999999994 110.849 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.636 ' CD1' HG11 ' A' ' 30' ' ' VAL . 13.2 m95 -95.13 -5.41 44.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.236 -0.438 . . . . 65.349999999999994 110.935 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.9 mmtp 69.8 25.02 5.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 75.019999999999996 110.911 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.47 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.59 168.73 16.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 74.439999999999998 110.961 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -70.01 137.14 51.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 65.420000000000002 110.879 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.636 HG11 ' CD1' ' A' ' 26' ' ' TRP . 8.3 m -124.92 154.3 32.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 70.230000000000004 111.103 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -55.74 114.41 1.87 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 75.230000000000004 110.892 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.43 151.92 3.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 73.109999999999999 111.113 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.1 m -94.01 160.5 32.17 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.631 0.729 . . . . 42.229999999999997 110.887 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -23.87 30.47 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.654 2.236 . . . . 51.009999999999998 112.354 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 72.030000000000001 110.896 -179.974 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 52.0 m . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.826 0.346 . . . . 73.409999999999997 110.889 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -72.46 170.54 14.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 73.010000000000005 110.903 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.0 p -130.15 -176.74 4.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 72.019999999999996 110.864 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.72 -155.02 0.15 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.766 -0.731 . . . . 51.200000000000003 112.507 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -170.61 172.35 5.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.762 0.315 . . . . 72.0 110.951 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -74.57 142.75 44.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 75.239999999999995 110.933 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 4.6 mtt 62.06 20.84 11.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 74.329999999999998 110.879 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.1 m0 -106.13 129.17 54.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.452 . . . . 73.150000000000006 110.958 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.66 150.31 2.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.273 -0.421 . . . . 71.409999999999997 110.874 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.4 p -157.49 142.21 16.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 71.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.3 ptpm? -88.08 -12.63 43.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 64.420000000000002 110.869 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -162.1 179.72 7.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 73.25 110.917 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.97 -9.2 58.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 64.120000000000005 110.848 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -72.99 -27.65 61.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 72.219999999999999 110.88 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -66.86 -28.77 68.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 74.109999999999999 110.866 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 89.8 m -61.36 127.55 32.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 65.340000000000003 110.902 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.9 t -73.23 -66.85 0.63 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 71.0 110.834 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.44 137.59 10.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 73.25 110.958 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.478 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.1 OUTLIER 65.16 19.94 11.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.424 . . . . 74.310000000000002 110.898 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.478 HD12 ' O ' ' A' ' 19' ' ' ASP . 2.0 mp -122.45 154.56 37.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.252 -0.431 . . . . 74.209999999999994 110.946 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.7 m -142.88 128.25 16.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 71.530000000000001 111.08 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.5 t -61.48 113.26 2.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 74.430000000000007 110.918 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.63 111.98 23.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 73.329999999999998 110.813 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.3 t -66.77 -14.43 62.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 53.399999999999999 110.899 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.4 ttt180 -70.24 -48.58 56.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 75.209999999999994 110.828 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.635 ' CD1' HG11 ' A' ' 30' ' ' VAL . 12.9 m95 -93.79 -5.19 48.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 65.349999999999994 110.89 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt 69.59 25.07 5.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 75.019999999999996 110.898 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.472 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.63 168.45 16.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 74.439999999999998 110.876 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.69 137.34 52.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 65.420000000000002 110.859 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.635 HG11 ' CD1' ' A' ' 26' ' ' TRP . 8.4 m -125.32 154.23 33.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 70.230000000000004 111.173 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -55.3 114.31 1.75 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.438 . . . . 75.230000000000004 110.964 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.06 138.1 38.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 73.109999999999999 111.108 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.2 m -57.07 160.53 6.14 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.637 0.732 . . . . 42.229999999999997 110.901 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -27.73 26.31 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.689 2.26 . . . . 51.009999999999998 112.414 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 28.3 t80 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 72.030000000000001 110.92 179.974 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 34.6 p . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.793 0.33 . . . . 73.409999999999997 110.88 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -76.13 173.8 10.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 73.010000000000005 110.913 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.2 p -130.87 -176.77 4.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 72.019999999999996 110.952 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.81 -154.76 0.15 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.65 -0.786 . . . . 51.200000000000003 112.539 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -170.62 172.27 5.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.848 0.356 . . . . 72.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -74.54 142.88 44.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 75.239999999999995 110.951 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.2 mtt 61.97 20.98 11.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 74.329999999999998 110.93 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.0 m0 -106.25 128.97 54.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 73.150000000000006 110.945 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -50.57 148.79 3.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 71.409999999999997 110.955 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.5 p -155.29 144.26 20.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 71.0 110.867 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.9 ptpp? -89.96 -13.47 36.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 64.420000000000002 110.912 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.8 m-20 -162.13 179.71 7.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 73.25 110.863 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.6 p -77.13 -9.08 58.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 64.120000000000005 110.946 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -73.58 -27.99 61.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.06 -0.518 . . . . 72.219999999999999 110.855 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.83 -28.03 68.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 74.109999999999999 110.845 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 88.0 m -62.57 127.51 31.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 65.340000000000003 110.833 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.4 t -72.85 -67.97 0.52 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 71.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 tppt? -158.18 137.41 11.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 73.25 110.94 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.475 ' O ' HD12 ' A' ' 20' ' ' LEU . 7.7 m-20 65.19 19.91 11.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.443 . . . . 74.310000000000002 110.852 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.475 HD12 ' O ' ' A' ' 19' ' ' ASP . 2.0 mp -122.37 153.24 39.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 74.209999999999994 110.89 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.6 m -141.94 128.2 19.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 71.530000000000001 111.119 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.3 t -60.85 113.6 2.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 74.430000000000007 110.853 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.64 112.73 24.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.482 . . . . 73.329999999999998 110.873 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 80.7 p -68.14 -12.62 61.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 53.399999999999999 110.874 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.3 ttt85 -72.19 -46.79 54.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 75.209999999999994 110.928 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.638 ' CD1' HG11 ' A' ' 30' ' ' VAL . 12.9 m95 -95.65 -5.45 42.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 65.349999999999994 110.907 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.3 mmtt 69.82 25.07 5.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 75.019999999999996 110.883 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.471 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.51 168.36 16.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 74.439999999999998 110.912 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.47 137.15 52.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 65.420000000000002 110.951 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.638 HG11 ' CD1' ' A' ' 26' ' ' TRP . 9.6 m -125.29 153.97 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 70.230000000000004 111.156 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -55.63 113.47 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 75.230000000000004 110.895 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.42 141.99 45.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.119 -0.492 . . . . 73.109999999999999 111.126 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.5 m -82.14 160.54 62.67 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.704 0.764 . . . . 42.229999999999997 110.894 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -29.08 24.4 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.694 2.263 . . . . 51.009999999999998 112.337 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 75.9 t80 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.275 -0.42 . . . . 72.030000000000001 110.856 -179.977 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.4 p . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.826 0.346 . . . . 73.409999999999997 110.856 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -110.71 169.19 8.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 73.010000000000005 110.922 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.6 p -130.27 -176.73 4.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 72.019999999999996 110.86 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.5 -154.81 0.21 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.749 -0.738 . . . . 51.200000000000003 112.479 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -170.5 172.31 6.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.787 0.327 . . . . 72.0 110.912 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -74.52 142.65 44.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 75.239999999999995 110.871 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 62.15 21.25 12.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 74.329999999999998 110.895 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.1 m0 -106.53 128.99 54.54 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.214 -0.448 . . . . 73.150000000000006 110.868 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.55 149.76 3.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 71.409999999999997 110.912 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.2 p -156.9 142.25 17.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 71.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.5 mtmm -87.82 -13.78 41.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 64.420000000000002 110.863 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -160.94 179.75 8.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.261 -0.427 . . . . 73.25 110.835 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.3 p -78.09 -9.0 58.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 64.120000000000005 110.796 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -73.09 -27.9 61.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 72.219999999999999 110.858 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -66.87 -27.26 67.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 74.109999999999999 110.819 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 89.2 m -62.96 126.7 28.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 65.340000000000003 110.879 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.9 t -72.11 -68.46 0.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 71.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.87 137.34 11.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 73.25 110.881 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.482 ' O ' HD12 ' A' ' 20' ' ' LEU . 4.8 t70 65.28 20.24 11.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 74.310000000000002 110.844 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.482 HD12 ' O ' ' A' ' 19' ' ' ASP . 2.1 mp -122.59 153.61 39.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 74.209999999999994 110.905 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.441 HG13 ' HB2' ' A' ' 32' ' ' ALA . 30.7 m -142.33 128.27 17.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 71.530000000000001 111.108 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.0 t -60.9 113.3 2.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 74.430000000000007 110.911 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.69 112.18 24.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 73.329999999999998 110.839 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 93.9 p -67.3 -14.06 62.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 53.399999999999999 110.869 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.1 ttt85 -70.61 -47.17 61.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 75.209999999999994 110.841 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.636 ' CD1' HG11 ' A' ' 30' ' ' VAL . 13.2 m95 -95.31 -5.37 43.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 65.349999999999994 110.956 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.1 mmmt 69.65 25.14 5.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 75.019999999999996 110.871 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.473 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.62 168.62 16.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 74.439999999999998 110.88 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.88 137.33 51.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 65.420000000000002 110.85 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.636 HG11 ' CD1' ' A' ' 26' ' ' TRP . 8.4 m -125.48 154.43 34.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 70.230000000000004 111.1 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -55.88 114.25 1.83 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 75.230000000000004 110.904 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.441 ' HB2' HG13 ' A' ' 21' ' ' VAL . . . -58.52 138.68 56.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 73.109999999999999 111.079 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.82 160.58 81.63 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.595 0.712 . . . . 42.229999999999997 110.885 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -33.6 16.15 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.72 2.28 . . . . 51.009999999999998 112.311 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 23.5 t80 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.302 -0.408 . . . . 72.030000000000001 110.907 -179.994 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 58.8 m . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.796 0.331 . . . . 73.409999999999997 110.912 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -81.73 170.35 15.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 73.010000000000005 110.912 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.1 p -130.29 -176.71 4.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 72.019999999999996 110.9 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.97 -154.89 0.16 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.73 -0.747 . . . . 51.200000000000003 112.54 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -170.55 172.41 5.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.813 0.339 . . . . 72.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -74.72 142.93 44.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 75.239999999999995 110.887 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 3.3 mtt 61.89 20.83 11.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 74.329999999999998 110.922 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.0 m0 -106.03 129.28 54.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.187 -0.46 . . . . 73.150000000000006 110.867 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.9 mptt -50.79 150.43 2.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 71.409999999999997 110.886 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.5 p -157.48 141.89 16.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 71.0 110.934 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.8 mtmt -88.11 -12.13 45.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 64.420000000000002 110.897 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -162.2 179.71 7.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 73.25 110.893 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.2 p -78.41 -9.11 59.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 64.120000000000005 110.908 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 56.1 m-20 -73.21 -27.31 61.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.045 -0.525 . . . . 72.219999999999999 110.985 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -66.95 -28.63 68.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 74.109999999999999 110.833 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 89.1 m -61.51 127.94 33.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 65.340000000000003 110.908 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.3 t -73.37 -67.2 0.6 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 71.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -159.09 137.54 10.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 73.25 110.919 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.477 ' O ' HD12 ' A' ' 20' ' ' LEU . 1.4 t70 65.12 20.01 11.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 74.310000000000002 110.845 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.477 HD12 ' O ' ' A' ' 19' ' ' ASP . 2.0 mp -122.44 154.29 37.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 74.209999999999994 110.859 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.6 m -142.58 128.23 17.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 71.530000000000001 111.115 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.6 t -61.38 113.36 2.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 74.430000000000007 110.798 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.64 112.01 23.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 73.329999999999998 110.868 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.8 t -66.78 -14.86 63.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 53.399999999999999 110.862 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 42.7 ttt180 -69.81 -48.85 57.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 75.209999999999994 110.898 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.636 ' CD1' HG11 ' A' ' 30' ' ' VAL . 13.0 m95 -93.42 -5.16 49.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 65.349999999999994 110.921 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.0 mmmm 69.42 25.04 5.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 75.019999999999996 110.933 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.473 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.52 168.64 16.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 74.439999999999998 110.919 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.87 137.39 51.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 65.420000000000002 110.876 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.636 HG11 ' CD1' ' A' ' 26' ' ' TRP . 9.0 m -125.54 154.23 33.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 70.230000000000004 111.127 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -55.23 114.75 1.91 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 75.230000000000004 110.882 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.73 157.83 2.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 73.109999999999999 111.054 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.9 m -81.05 160.51 65.72 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.651 0.739 . . . . 42.229999999999997 110.869 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -23.07 31.25 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.734 2.29 . . . . 51.009999999999998 112.342 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.175 -0.466 . . . . 72.030000000000001 110.863 -179.909 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.833 0.349 . . . . 73.409999999999997 110.847 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -108.68 172.25 6.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 73.010000000000005 110.897 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.0 p -130.24 -176.78 4.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 72.019999999999996 110.913 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.9 -154.74 0.15 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.753 -0.737 . . . . 51.200000000000003 112.417 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -170.58 172.31 5.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.817 0.341 . . . . 72.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -74.55 142.82 44.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 75.239999999999995 110.966 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.0 mtt 61.97 20.94 11.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 74.329999999999998 110.943 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 15.9 m0 -106.18 129.1 54.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 73.150000000000006 110.96 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.72 149.91 3.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 71.409999999999997 110.836 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.9 p -156.47 144.22 19.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 71.0 110.927 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -90.82 -8.95 48.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 64.420000000000002 110.805 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -166.23 179.71 5.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 73.25 110.893 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.83 -9.19 58.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 64.120000000000005 110.883 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -73.33 -28.16 61.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 72.219999999999999 110.96 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.86 -27.93 67.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.117 -0.492 . . . . 74.109999999999999 110.803 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 88.7 m -62.24 128.0 34.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 65.340000000000003 110.869 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 25.8 t -73.25 -68.1 0.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 71.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -158.28 137.28 11.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 73.25 110.891 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.48 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.1 OUTLIER 65.29 20.23 11.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 74.310000000000002 110.836 179.827 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.48 HD12 ' O ' ' A' ' 19' ' ' ASP . 2.0 mp -122.52 154.41 37.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 74.209999999999994 110.994 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.4 m -142.73 128.33 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 71.530000000000001 111.129 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.6 t -61.46 113.26 2.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 74.430000000000007 110.911 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.53 111.92 23.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 73.329999999999998 110.894 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.8 t -66.89 -13.98 62.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 53.399999999999999 110.849 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 46.4 ttt180 -70.71 -48.7 53.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 75.209999999999994 110.857 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.632 ' CD1' HG11 ' A' ' 30' ' ' VAL . 13.0 m95 -93.57 -5.3 49.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 65.349999999999994 110.953 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.5 mmmt 69.71 25.01 5.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 75.019999999999996 110.92 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.47 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.56 168.59 16.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.268 -0.423 . . . . 74.439999999999998 110.932 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.86 137.25 51.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 65.420000000000002 110.876 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.632 HG11 ' CD1' ' A' ' 26' ' ' TRP . 8.1 m -125.16 154.49 33.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.106 -0.497 . . . . 70.230000000000004 111.126 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -55.32 114.38 1.78 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 75.230000000000004 110.93 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.07 149.63 27.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 73.109999999999999 111.124 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.73 160.65 38.11 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.647 0.737 . . . . 42.229999999999997 110.861 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -16.16 37.51 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.676 2.251 . . . . 51.009999999999998 112.379 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 35.6 t80 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 72.030000000000001 110.908 -179.959 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 18.1 m . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 120.88 0.371 . . . . 73.409999999999997 110.865 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.58 174.26 0.23 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 73.010000000000005 110.875 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.7 p -129.87 -176.53 3.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 72.019999999999996 110.919 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.34 -155.91 0.16 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.762 -0.732 . . . . 51.200000000000003 112.53 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -170.44 172.46 6.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.779 0.323 . . . . 72.0 110.964 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -74.61 142.9 44.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.294 -0.412 . . . . 75.239999999999995 110.893 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER 61.91 20.83 11.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 74.329999999999998 110.874 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 15.8 m0 -106.01 129.1 54.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 73.150000000000006 110.87 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -50.7 150.54 2.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 71.409999999999997 110.9 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.9 p -157.81 142.21 16.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 71.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -88.36 -12.31 43.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 64.420000000000002 110.843 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -162.28 179.73 7.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.205 -0.452 . . . . 73.25 110.895 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.11 -9.21 59.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 64.120000000000005 110.822 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -72.86 -27.71 62.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 72.219999999999999 110.837 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -66.82 -28.7 68.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 74.109999999999999 110.897 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 94.3 m -62.01 127.94 33.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 65.340000000000003 110.865 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 21.8 t -73.69 -66.72 0.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 71.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -159.66 138.39 10.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.11 -0.495 . . . . 73.25 110.873 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.479 ' O ' HD12 ' A' ' 20' ' ' LEU . 33.0 t0 65.0 19.37 11.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 74.310000000000002 110.844 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.479 HD12 ' O ' ' A' ' 19' ' ' ASP . 2.0 mp -122.4 155.21 36.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 74.209999999999994 110.962 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.6 m -143.8 128.42 14.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 71.530000000000001 111.083 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.6 t -61.51 113.49 2.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 74.430000000000007 110.854 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.57 112.77 25.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 73.329999999999998 110.85 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.3 p -68.02 -12.64 61.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 53.399999999999999 110.863 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.3 ttt85 -72.25 -47.28 51.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.13 -0.486 . . . . 75.209999999999994 110.878 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.637 ' CD1' HG11 ' A' ' 30' ' ' VAL . 13.2 m95 -94.92 -5.48 44.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 65.349999999999994 110.902 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.8 mmtt 69.8 25.18 5.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 75.019999999999996 110.874 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.473 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.66 168.5 16.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.277 -0.42 . . . . 74.439999999999998 110.898 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.72 137.17 51.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 65.420000000000002 110.857 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.637 HG11 ' CD1' ' A' ' 26' ' ' TRP . 8.5 m -125.15 154.67 33.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.096 -0.502 . . . . 70.230000000000004 111.129 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -55.64 114.19 1.76 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 75.230000000000004 110.87 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.72 126.61 20.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 73.109999999999999 111.148 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.7 m -84.63 160.57 55.94 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.585 0.707 . . . . 42.229999999999997 110.904 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -25.32 29.02 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.647 2.231 . . . . 51.009999999999998 112.394 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 72.030000000000001 110.879 -179.971 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 28.2 m . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.859 0.361 . . . . 73.409999999999997 110.852 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -93.25 164.64 13.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 73.010000000000005 110.907 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.2 p -130.26 -176.74 4.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 72.019999999999996 110.92 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.33 -154.72 0.19 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.697 -0.764 . . . . 51.200000000000003 112.501 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -170.53 172.42 5.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.83 0.348 . . . . 72.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -74.52 142.78 44.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 75.239999999999995 110.896 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 6.8 mtt 62.02 20.92 11.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 74.329999999999998 110.843 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.1 m0 -106.15 129.11 54.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 73.150000000000006 110.918 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.65 149.92 3.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.43 . . . . 71.409999999999997 110.884 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.5 p -156.91 141.82 17.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 71.0 110.842 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.5 ptpm? -88.03 -12.58 43.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 64.420000000000002 110.876 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -161.63 179.88 7.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 73.25 110.861 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.1 p -78.48 -9.17 59.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 64.120000000000005 110.828 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -73.33 -27.32 61.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 72.219999999999999 110.857 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -66.85 -28.61 68.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.46 . . . . 74.109999999999999 110.844 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 89.0 m -61.68 127.52 31.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 65.340000000000003 110.857 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.1 t -72.88 -67.28 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 71.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.99 137.3 10.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 73.25 110.889 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.474 ' O ' HD12 ' A' ' 20' ' ' LEU . 9.8 m-20 65.19 19.74 11.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 74.310000000000002 110.911 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.474 HD12 ' O ' ' A' ' 19' ' ' ASP . 1.9 mp -122.27 152.68 39.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 74.209999999999994 110.954 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.3 m -141.26 128.21 20.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 71.530000000000001 111.083 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.5 t -60.92 113.35 2.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 74.430000000000007 110.896 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.53 112.46 24.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 73.329999999999998 110.848 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.8 p -67.5 -13.39 62.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 53.399999999999999 110.835 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.2 ttt85 -71.37 -47.63 55.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 75.209999999999994 110.873 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.638 ' CD1' HG11 ' A' ' 30' ' ' VAL . 12.8 m95 -94.74 -5.33 45.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 65.349999999999994 110.91 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.3 mmmt 69.72 25.03 5.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 75.019999999999996 110.872 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.471 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.62 168.52 16.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.297 -0.41 . . . . 74.439999999999998 110.969 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.77 137.34 51.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 65.420000000000002 110.857 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.638 HG11 ' CD1' ' A' ' 26' ' ' TRP . 9.6 m -125.3 153.92 33.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.492 . . . . 70.230000000000004 111.156 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -55.82 114.78 2.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 75.230000000000004 110.937 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.68 157.29 7.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 73.109999999999999 111.141 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.18 160.69 42.33 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.66 0.743 . . . . 42.229999999999997 110.878 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 -39.37 6.42 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.673 2.248 . . . . 51.009999999999998 112.288 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 15.6 t80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.42 . . . . 72.030000000000001 110.847 -179.922 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 65.7 m . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.828 0.347 . . . . 73.409999999999997 110.893 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -114.87 173.51 6.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 73.010000000000005 110.885 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.3 p -130.52 -176.73 4.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 72.019999999999996 110.9 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.27 -154.85 0.19 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.804 -0.712 . . . . 51.200000000000003 112.471 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -170.6 172.35 5.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.797 0.332 . . . . 72.0 110.899 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -74.59 142.87 44.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 75.239999999999995 110.911 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER 61.88 20.94 11.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 74.329999999999998 110.957 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.0 m0 -106.15 129.2 54.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 73.150000000000006 110.907 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.1 mptt -50.48 150.75 2.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.293 -0.412 . . . . 71.409999999999997 110.941 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.5 p -158.21 143.18 16.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 71.0 110.853 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.92 -13.43 39.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 64.420000000000002 110.928 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -161.62 179.46 8.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 73.25 110.887 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.4 p -77.29 -9.12 58.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 64.120000000000005 110.817 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -72.55 -28.22 62.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 72.219999999999999 110.853 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -66.95 -28.79 68.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 74.109999999999999 110.779 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 90.3 m -61.37 126.97 29.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 65.340000000000003 110.873 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.9 t -72.84 -66.5 0.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 71.0 110.935 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.99 137.74 9.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 73.25 110.93 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.474 ' O ' HD12 ' A' ' 20' ' ' LEU . 6.7 t0 65.17 19.73 11.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 74.310000000000002 110.909 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.474 HD12 ' O ' ' A' ' 19' ' ' ASP . 1.9 mp -122.27 155.0 36.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 74.209999999999994 110.932 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.3 m -143.23 128.17 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 71.530000000000001 111.157 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.5 t -61.44 113.24 2.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.5 . . . . 74.430000000000007 110.882 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.56 112.72 24.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 73.329999999999998 110.888 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.1 t -67.91 -12.78 61.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 53.399999999999999 110.916 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 47.9 ttt180 -72.12 -47.21 52.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.049 -0.523 . . . . 75.209999999999994 110.854 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.633 ' CD1' HG11 ' A' ' 30' ' ' VAL . 13.3 m95 -94.98 -5.34 44.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 65.349999999999994 110.924 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.1 mmtp 69.93 25.0 5.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.286 -0.416 . . . . 75.019999999999996 110.866 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.469 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.74 168.86 15.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 74.439999999999998 110.939 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -70.15 137.1 50.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.288 -0.415 . . . . 65.420000000000002 110.852 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.633 HG11 ' CD1' ' A' ' 26' ' ' TRP . 8.5 m -124.52 154.57 32.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 70.230000000000004 111.149 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -55.93 113.97 1.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 75.230000000000004 110.999 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.24 130.19 30.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 73.109999999999999 111.095 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.66 160.21 4.27 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.615 0.721 . . . . 42.229999999999997 110.852 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -34.81 13.94 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.675 2.25 . . . . 51.009999999999998 112.338 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 72.030000000000001 110.899 -179.989 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.5 m . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.876 0.37 . . . . 73.409999999999997 110.802 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -105.37 174.09 6.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.098 -0.501 . . . . 73.010000000000005 110.892 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.0 p -131.58 -176.8 4.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 72.019999999999996 110.86 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.68 -155.06 0.15 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.757 -0.735 . . . . 51.200000000000003 112.53 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -170.53 172.3 6.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.807 0.337 . . . . 72.0 110.849 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -74.58 143.01 44.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.281 -0.418 . . . . 75.239999999999995 110.906 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 5.7 mtt 61.87 20.8 11.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 74.329999999999998 110.853 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.0 m0 -106.07 129.43 54.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 73.150000000000006 110.918 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.1 mptt -50.42 151.14 2.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 71.409999999999997 110.911 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.8 p -159.73 146.17 16.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 71.0 110.917 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.5 mmpt? -90.88 -14.73 31.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 64.420000000000002 110.932 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -162.81 176.01 10.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 73.25 110.846 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.41 -9.14 58.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 64.120000000000005 110.873 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -71.08 -30.69 66.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 72.219999999999999 110.917 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.89 -27.88 67.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 74.109999999999999 110.881 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 86.0 m -61.62 127.72 32.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 65.340000000000003 110.914 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.3 t -73.24 -67.64 0.56 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 71.0 110.867 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.27 137.13 11.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 73.25 110.893 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.48 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.2 OUTLIER 65.19 19.81 11.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 74.310000000000002 110.922 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.48 HD12 ' O ' ' A' ' 19' ' ' ASP . 2.0 mp -122.48 151.54 41.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 74.209999999999994 110.865 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.487 HG13 ' HB2' ' A' ' 32' ' ' ALA . 16.0 m -140.51 128.06 23.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 71.530000000000001 111.161 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.1 t -60.29 113.59 2.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 74.430000000000007 110.951 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.59 112.78 25.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 73.329999999999998 110.893 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.3 t -68.12 -12.67 61.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.087 -0.506 . . . . 53.399999999999999 110.839 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.6 ttt85 -72.18 -47.0 53.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 75.209999999999994 110.889 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.641 ' CD1' HG11 ' A' ' 30' ' ' VAL . 13.1 m95 -95.37 -5.5 43.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 65.349999999999994 110.931 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.0 mmtp 69.83 25.11 5.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 75.019999999999996 110.868 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.473 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.66 168.71 16.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 74.439999999999998 110.877 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.75 137.21 51.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 65.420000000000002 110.858 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.641 HG11 ' CD1' ' A' ' 26' ' ' TRP . 10.8 m -125.75 153.83 34.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 70.230000000000004 111.153 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -54.89 112.75 1.11 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.229 -0.441 . . . . 75.230000000000004 110.922 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.487 ' HB2' HG13 ' A' ' 21' ' ' VAL . . . -63.26 133.85 54.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 73.109999999999999 111.175 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.6 m -92.65 160.48 34.33 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.683 0.754 . . . . 42.229999999999997 110.834 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 -25.73 28.68 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.66 2.24 . . . . 51.009999999999998 112.344 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 52.2 t80 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.295 -0.411 . . . . 72.030000000000001 110.906 -179.919 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.5 t . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.842 0.353 . . . . 73.409999999999997 110.85 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -62.79 172.75 1.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 73.010000000000005 110.917 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.2 p -130.93 -176.78 4.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 72.019999999999996 110.842 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.06 -154.92 0.17 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.734 -0.746 . . . . 51.200000000000003 112.525 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -170.59 172.33 5.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.863 0.363 . . . . 72.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -74.55 142.7 44.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 75.239999999999995 110.865 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 62.15 21.23 12.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 74.329999999999998 110.899 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 15.9 m0 -106.45 128.68 54.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 73.150000000000006 110.909 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -50.4 147.18 4.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 71.409999999999997 110.891 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.7 p -153.89 141.5 19.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 71.0 110.851 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -88.27 -10.36 49.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 64.420000000000002 110.907 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -164.14 179.78 6.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 73.25 110.831 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.6 p -78.5 -9.28 59.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 64.120000000000005 110.838 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 32.5 m-20 -73.13 -27.68 61.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 72.219999999999999 110.906 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -66.88 -28.29 68.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 74.109999999999999 110.873 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 90.1 m -61.78 126.41 27.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.267 -0.424 . . . . 65.340000000000003 110.893 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.2 t -72.19 -67.35 0.55 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 71.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.1 tppt? -158.59 137.52 11.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 73.25 110.861 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.477 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.1 OUTLIER 64.88 20.02 12.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 74.310000000000002 110.925 179.887 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.477 HD12 ' O ' ' A' ' 19' ' ' ASP . 2.0 mp -122.5 152.09 40.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 74.209999999999994 110.928 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 17.0 m -141.03 128.15 21.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 71.530000000000001 111.207 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.9 t -60.11 113.32 2.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 74.430000000000007 110.893 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.54 112.12 24.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 73.329999999999998 110.903 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.3 m -67.22 -14.56 63.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 53.399999999999999 110.833 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.6 ttt180 -70.03 -46.97 63.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 75.209999999999994 110.894 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.639 ' CD1' HG11 ' A' ' 30' ' ' VAL . 13.0 m95 -95.66 -5.28 42.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.167 -0.47 . . . . 65.349999999999994 110.885 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.3 mmmt 69.66 25.05 5.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 75.019999999999996 110.899 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.474 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.49 169.17 15.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.202 -0.454 . . . . 74.439999999999998 110.964 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -70.22 137.26 50.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 65.420000000000002 110.913 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.639 HG11 ' CD1' ' A' ' 26' ' ' TRP . 10.2 m -126.16 154.0 35.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 70.230000000000004 111.115 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -54.98 113.41 1.33 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 75.230000000000004 110.91 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.44 154.63 3.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 73.109999999999999 111.095 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 m -94.65 160.53 31.22 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.654 0.74 . . . . 42.229999999999997 110.868 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -27.37 26.56 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.678 2.252 . . . . 51.009999999999998 112.38 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 19.8 t80 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 72.030000000000001 110.855 -179.975 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 35.0 p . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.815 0.341 . . . . 73.409999999999997 110.902 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -61.24 170.84 1.54 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 73.010000000000005 110.843 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.2 p -130.27 -176.77 4.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 72.019999999999996 110.886 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.19 -155.05 0.19 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.769 -0.729 . . . . 51.200000000000003 112.49 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -170.61 172.43 5.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.846 0.355 . . . . 72.0 110.859 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -74.7 142.82 44.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 75.239999999999995 110.897 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.0 mtt 61.97 21.02 12.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 74.329999999999998 110.915 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.2 m0 -106.24 129.28 54.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 73.150000000000006 110.894 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -50.44 151.0 2.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 71.409999999999997 110.912 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.1 p -159.07 143.94 15.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 71.0 110.864 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.98 -12.74 37.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 64.420000000000002 110.838 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -162.94 175.99 10.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 73.25 110.895 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.0 -9.24 58.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 64.120000000000005 110.822 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -71.75 -29.12 64.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 72.219999999999999 110.88 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -66.78 -28.57 68.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 74.109999999999999 110.919 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 88.7 m -61.32 127.26 30.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 65.340000000000003 110.88 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.3 t -73.02 -66.17 0.71 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 71.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.28 137.74 9.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 73.25 110.851 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.476 ' O ' HD12 ' A' ' 20' ' ' LEU . 8.9 m-20 65.12 19.67 11.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 74.310000000000002 110.945 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.476 HD12 ' O ' ' A' ' 19' ' ' ASP . 2.0 mp -122.31 154.44 37.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 74.209999999999994 110.886 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.6 m -142.75 128.16 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.281 -0.418 . . . . 71.530000000000001 111.129 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.5 t -61.32 113.15 2.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 74.430000000000007 110.863 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.58 111.97 23.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 73.329999999999998 110.85 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.3 m -66.74 -14.94 63.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.492 . . . . 53.399999999999999 110.849 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -69.79 -48.69 58.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 75.209999999999994 110.926 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.637 ' CD1' HG11 ' A' ' 30' ' ' VAL . 13.6 m95 -93.43 -5.29 49.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 65.349999999999994 110.884 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 69.5 25.12 5.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 75.019999999999996 110.921 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.474 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.71 168.67 15.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.192 -0.458 . . . . 74.439999999999998 110.924 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.94 137.22 51.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 65.420000000000002 110.926 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.637 HG11 ' CD1' ' A' ' 26' ' ' TRP . 9.0 m -125.38 154.12 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 70.230000000000004 111.145 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -54.76 113.55 1.36 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 75.230000000000004 110.949 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.97 142.27 20.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 73.109999999999999 111.152 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.9 m -62.26 160.62 30.64 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.673 0.749 . . . . 42.229999999999997 110.836 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -31.1 21.11 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.66 2.24 . . . . 51.009999999999998 112.355 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 47.9 p90 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 72.030000000000001 110.881 -179.942 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 11.5 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.842 0.354 . . . . 73.409999999999997 110.869 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -77.23 169.65 17.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 73.010000000000005 110.893 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.2 p -130.26 -176.7 4.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 72.019999999999996 110.837 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.31 -155.38 0.21 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.728 -0.749 . . . . 51.200000000000003 112.495 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -170.51 172.51 5.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.792 0.33 . . . . 72.0 110.918 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -74.66 142.87 44.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 75.239999999999995 110.889 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.9 mtt 61.94 20.91 11.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 74.329999999999998 110.842 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.0 m0 -106.03 129.09 54.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.238 -0.437 . . . . 73.150000000000006 110.908 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.5 151.01 2.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 71.409999999999997 110.95 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.5 p -159.57 145.58 16.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.288 -0.415 . . . . 71.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.0 mttt -90.16 -9.49 48.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 64.420000000000002 110.904 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -167.94 179.62 4.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 73.25 110.854 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.22 -9.13 58.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 64.120000000000005 110.859 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -70.51 -30.89 67.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.067 -0.515 . . . . 72.219999999999999 110.879 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -66.84 -28.12 68.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.154 -0.476 . . . . 74.109999999999999 110.893 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 88.2 m -61.18 126.86 28.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 65.340000000000003 110.886 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.0 t -72.82 -65.65 0.77 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.451 . . . . 71.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -160.65 137.95 9.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 73.25 110.906 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.477 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.3 OUTLIER 65.08 19.53 11.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 74.310000000000002 110.875 179.903 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.477 HD12 ' O ' ' A' ' 19' ' ' ASP . 2.0 mp -122.39 154.32 37.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.158 -0.474 . . . . 74.209999999999994 110.917 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.5 m -142.71 128.08 16.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 71.530000000000001 111.117 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.4 t -61.22 113.05 2.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.161 -0.472 . . . . 74.430000000000007 110.881 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.54 112.02 23.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 73.329999999999998 110.845 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.1 t -66.56 -15.53 63.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 53.399999999999999 110.836 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.5 ttt180 -69.17 -49.32 57.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 75.209999999999994 110.844 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.639 ' CD1' HG11 ' A' ' 30' ' ' VAL . 13.0 m95 -92.87 -5.35 51.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 65.349999999999994 110.942 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt 69.54 25.12 5.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 75.019999999999996 110.94 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.473 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.69 168.51 16.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 74.439999999999998 110.873 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.68 137.26 51.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 65.420000000000002 110.864 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.639 HG11 ' CD1' ' A' ' 26' ' ' TRP . 8.6 m -125.46 154.28 33.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 70.230000000000004 111.124 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -55.21 113.9 1.57 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 75.230000000000004 110.958 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.44 157.29 3.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 73.109999999999999 111.108 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.79 160.54 31.02 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.669 0.747 . . . . 42.229999999999997 110.833 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -33.47 16.68 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.658 2.239 . . . . 51.009999999999998 112.383 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 72.030000000000001 110.882 -179.99 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.863 0.363 . . . . 73.409999999999997 110.917 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -68.63 174.13 4.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.068 -0.515 . . . . 73.010000000000005 110.897 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.2 p -130.27 -176.8 4.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 72.019999999999996 110.905 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.04 -154.76 0.16 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 51.200000000000003 112.461 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -170.55 172.38 5.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.803 0.335 . . . . 72.0 110.895 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -74.59 142.84 44.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 75.239999999999995 110.88 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.3 mtt 61.97 20.8 11.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 74.329999999999998 110.862 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 15.9 m0 -106.11 129.37 54.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 73.150000000000006 110.925 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -50.45 150.39 2.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 71.409999999999997 110.909 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.4 p -157.91 142.22 16.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 71.0 110.843 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.3 ptpm? -88.07 -13.8 40.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 64.420000000000002 110.916 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.1 p30 -161.03 179.75 8.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 73.25 110.882 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.74 -9.18 58.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 64.120000000000005 110.851 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -72.66 -27.99 62.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.055 -0.521 . . . . 72.219999999999999 110.88 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -66.82 -28.81 68.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 74.109999999999999 110.884 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 86.9 m -61.28 127.0 29.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.47 . . . . 65.340000000000003 110.824 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.1 t -72.82 -67.04 0.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 71.0 110.862 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? -159.06 137.3 10.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 73.25 110.896 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.474 ' O ' HD12 ' A' ' 20' ' ' LEU . 2.7 m-20 65.15 19.91 11.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 74.310000000000002 110.908 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.474 HD12 ' O ' ' A' ' 19' ' ' ASP . 1.9 mp -122.38 152.74 39.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 74.209999999999994 110.892 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.403 HG13 ' HB2' ' A' ' 32' ' ' ALA . 9.3 m -141.39 128.08 20.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 71.530000000000001 111.144 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.3 t -60.66 113.52 2.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 74.430000000000007 110.86 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.57 112.33 24.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 73.329999999999998 110.9 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.6 t -67.67 -13.15 61.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 53.399999999999999 110.871 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.0 ttt85 -71.85 -47.0 56.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 75.209999999999994 110.811 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.637 ' CD1' HG11 ' A' ' 30' ' ' VAL . 13.3 m95 -95.27 -5.1 44.42 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.238 -0.437 . . . . 65.349999999999994 110.939 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.9 mmtm 69.51 25.07 5.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 75.019999999999996 110.911 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.471 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.63 169.0 15.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 74.439999999999998 110.955 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -70.25 137.36 50.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 65.420000000000002 110.875 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.637 HG11 ' CD1' ' A' ' 26' ' ' TRP . 10.5 m -125.45 153.86 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 70.230000000000004 111.151 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -54.57 112.67 1.06 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 75.230000000000004 110.947 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.403 ' HB2' HG13 ' A' ' 21' ' ' VAL . . . -62.59 135.93 57.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 73.109999999999999 111.091 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.33 160.54 54.03 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.684 0.754 . . . . 42.229999999999997 110.787 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 -31.93 19.47 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.621 2.214 . . . . 51.009999999999998 112.365 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 72.030000000000001 110.849 179.989 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.7 t . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.839 0.352 . . . . 73.409999999999997 110.87 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -83.67 173.45 11.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.497 . . . . 73.010000000000005 110.878 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.9 p -130.15 -176.81 4.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.068 -0.514 . . . . 72.019999999999996 110.888 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.32 -156.55 0.18 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.704 -0.76 . . . . 51.200000000000003 112.446 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -170.61 172.5 5.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.786 0.327 . . . . 72.0 110.942 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -74.58 142.74 44.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 75.239999999999995 110.823 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 3.4 mtt 61.95 20.99 11.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 74.329999999999998 110.885 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.2 m0 -106.12 129.27 54.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 73.150000000000006 110.934 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.53 151.33 2.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 71.409999999999997 110.884 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.0 p -159.37 143.9 15.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 71.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.47 -13.28 37.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 64.420000000000002 110.828 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -162.59 178.21 8.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 73.25 110.914 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.4 p -75.71 -9.1 58.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 64.120000000000005 110.909 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -71.59 -28.9 64.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.051 -0.522 . . . . 72.219999999999999 110.914 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -66.77 -28.9 68.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 74.109999999999999 110.915 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 98.1 m -61.9 126.69 28.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 65.340000000000003 110.903 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 20.9 t -73.08 -63.85 1.09 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 71.0 110.862 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.47 138.89 7.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 73.25 110.911 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.476 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.1 OUTLIER 65.12 18.08 11.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 74.310000000000002 110.886 179.852 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.476 HD12 ' O ' ' A' ' 19' ' ' ASP . 2.0 mp -122.17 154.14 37.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 74.209999999999994 110.945 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.5 m -142.83 128.21 16.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 71.530000000000001 111.169 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.4 t -60.86 113.43 2.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 74.430000000000007 110.804 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.62 112.5 24.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 73.329999999999998 110.822 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 80.7 p -67.96 -12.85 61.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 53.399999999999999 110.815 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.1 ttt180 -72.13 -46.46 56.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 75.209999999999994 110.873 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.637 ' CD1' HG11 ' A' ' 30' ' ' VAL . 13.9 m95 -95.73 -5.25 42.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.19 -0.459 . . . . 65.349999999999994 110.992 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt 69.81 25.04 5.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 75.019999999999996 110.926 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.468 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.77 168.98 15.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 74.439999999999998 110.876 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -70.27 137.08 50.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 65.420000000000002 110.919 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.637 HG11 ' CD1' ' A' ' 26' ' ' TRP . 9.4 m -124.92 154.58 32.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 70.230000000000004 111.149 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -55.97 114.21 1.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 75.230000000000004 110.898 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.33 161.05 1.01 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 73.109999999999999 111.124 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.2 m -63.79 160.57 44.32 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.628 0.727 . . . . 42.229999999999997 110.894 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 -21.77 33.18 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.693 2.262 . . . . 51.009999999999998 112.324 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 13.9 t80 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.29 -0.413 . . . . 72.030000000000001 110.899 -179.969 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 69.2 m . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.821 0.343 . . . . 73.409999999999997 110.827 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.12 174.24 0.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 73.010000000000005 110.902 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.7 p -129.93 -176.54 3.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 72.019999999999996 110.947 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.24 -155.96 0.15 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.74 . . . . 51.200000000000003 112.521 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -170.51 172.49 5.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.835 0.35 . . . . 72.0 110.861 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -74.61 142.77 44.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 75.239999999999995 110.849 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.4 mtt 62.08 20.77 11.89 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.182 -0.463 . . . . 74.329999999999998 110.894 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.0 m0 -105.99 129.24 54.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.255 -0.429 . . . . 73.150000000000006 110.955 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -50.69 150.41 2.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 71.409999999999997 110.928 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.1 p -157.65 142.21 16.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 71.0 110.843 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.4 ptpm? -88.39 -12.99 41.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 64.420000000000002 110.963 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -161.54 179.1 8.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 73.25 110.923 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.1 p -77.59 -8.99 58.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 64.120000000000005 110.902 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -72.96 -27.5 61.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.098 -0.501 . . . . 72.219999999999999 110.918 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -66.88 -28.67 68.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.493 . . . . 74.109999999999999 110.876 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 92.4 m -62.05 127.27 30.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 65.340000000000003 110.917 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 21.1 t -73.21 -65.85 0.76 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 71.0 110.877 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -160.51 138.31 9.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 73.25 110.839 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.477 ' O ' HD12 ' A' ' 20' ' ' LEU . 6.7 m-20 65.05 19.05 11.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.203 -0.453 . . . . 74.310000000000002 110.894 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.477 HD12 ' O ' ' A' ' 19' ' ' ASP . 2.0 mp -122.3 154.31 37.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 74.209999999999994 110.9 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.4 m -142.8 128.24 16.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 71.530000000000001 111.077 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.6 t -61.13 113.28 2.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 74.430000000000007 110.89 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.61 112.12 24.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 73.329999999999998 110.848 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 87.5 p -67.0 -14.46 62.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 53.399999999999999 110.913 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.9 ttt85 -70.39 -48.13 57.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 75.209999999999994 110.863 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.637 ' CD1' HG11 ' A' ' 30' ' ' VAL . 13.5 m95 -94.04 -5.39 47.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 65.349999999999994 110.916 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.9 mmmt 69.68 24.97 5.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.243 -0.435 . . . . 75.019999999999996 110.926 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.473 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.54 168.61 16.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 74.439999999999998 110.932 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.83 137.22 51.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.286 -0.415 . . . . 65.420000000000002 110.879 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.637 HG11 ' CD1' ' A' ' 26' ' ' TRP . 9.2 m -125.3 154.43 33.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 70.230000000000004 111.151 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -55.67 114.41 1.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 75.230000000000004 110.946 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.9 123.58 13.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 73.109999999999999 111.095 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.2 160.51 64.13 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.737 0.779 . . . . 42.229999999999997 110.9 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -25.67 28.63 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.672 2.248 . . . . 51.009999999999998 112.332 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.433 . . . . 72.030000000000001 110.981 179.999 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 64.4 m . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.84 0.352 . . . . 73.409999999999997 110.861 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -57.76 174.25 0.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 73.010000000000005 110.873 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.7 p -130.02 -176.62 3.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 72.019999999999996 110.847 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.39 -156.03 0.17 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.667 -0.778 . . . . 51.200000000000003 112.486 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -170.54 172.45 5.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.86 0.362 . . . . 72.0 110.883 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -74.66 142.88 44.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 75.239999999999995 110.822 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.7 mtt 61.96 20.83 11.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 74.329999999999998 110.849 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 15.8 m0 -105.93 129.29 54.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.198 -0.455 . . . . 73.150000000000006 110.897 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -50.57 151.29 2.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.42 . . . . 71.409999999999997 110.937 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.7 p -159.72 144.16 14.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 71.0 110.863 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.6 mtmt -89.43 -10.44 46.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 64.420000000000002 110.871 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -165.96 179.74 5.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 73.25 110.884 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.2 p -76.95 -9.23 58.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 64.120000000000005 110.837 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -71.01 -29.77 65.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.119 -0.491 . . . . 72.219999999999999 110.861 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -66.88 -28.74 68.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 74.109999999999999 110.899 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 93.0 m -61.31 127.4 31.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 65.340000000000003 110.869 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 21.0 t -73.48 -64.81 0.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 71.0 110.929 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.96 138.31 9.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 73.25 110.928 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.474 ' O ' HD12 ' A' ' 20' ' ' LEU . 5.9 t0 64.94 18.39 11.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 74.310000000000002 110.819 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.474 HD12 ' O ' ' A' ' 19' ' ' ASP . 1.9 mp -122.15 151.6 40.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 74.209999999999994 110.946 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.461 HG13 ' HB2' ' A' ' 32' ' ' ALA . 17.7 m -140.59 128.06 23.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 71.530000000000001 111.126 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.3 t -60.17 113.51 2.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 74.430000000000007 110.872 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.61 111.84 23.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 73.329999999999998 110.819 -179.808 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.5 t -66.77 -14.98 63.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.105 -0.498 . . . . 53.399999999999999 110.882 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 16.0 ttt85 -69.68 -48.21 60.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 75.209999999999994 110.931 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.641 ' CD1' HG11 ' A' ' 30' ' ' VAL . 13.2 m95 -94.22 -5.2 47.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 65.349999999999994 110.935 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 69.56 25.06 5.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 75.019999999999996 110.891 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.471 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.62 168.62 16.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 74.439999999999998 110.911 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.75 137.35 51.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 65.420000000000002 110.823 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.641 HG11 ' CD1' ' A' ' 26' ' ' TRP . 10.4 m -126.17 153.91 34.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 70.230000000000004 111.131 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -55.22 113.2 1.29 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 75.230000000000004 110.99 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.461 ' HB2' HG13 ' A' ' 21' ' ' VAL . . . -61.32 147.02 46.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 73.109999999999999 111.114 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -77.1 160.59 75.7 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.681 0.753 . . . . 42.229999999999997 110.804 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.83 -32.61 17.93 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.636 2.224 . . . . 51.009999999999998 112.353 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.5 t80 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 72.030000000000001 110.858 -179.964 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.6 t . . . . . 0 C--O 1.23 0.037 0 CA-C-O 120.855 0.359 . . . . 73.409999999999997 110.925 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -53.53 172.4 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.082 -0.508 . . . . 73.010000000000005 110.969 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.9 p -130.25 -176.85 4.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 72.019999999999996 110.883 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.47 -156.23 0.18 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.738 -0.744 . . . . 51.200000000000003 112.451 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -170.52 172.45 5.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.786 0.327 . . . . 72.0 110.943 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -74.48 142.61 44.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.278 -0.419 . . . . 75.239999999999995 110.907 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER 62.11 20.83 11.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 74.329999999999998 110.858 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.3 m0 -106.09 129.18 54.23 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.244 -0.435 . . . . 73.150000000000006 110.842 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.7 mptt -50.74 150.7 2.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 71.409999999999997 110.879 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.2 p -157.92 142.35 16.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 71.0 110.847 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.1 ptpp? -88.18 -13.72 40.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 64.420000000000002 110.921 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -161.12 179.77 8.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 73.25 110.821 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.0 p -77.77 -9.18 58.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 64.120000000000005 110.847 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -72.75 -27.49 62.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.166 -0.47 . . . . 72.219999999999999 110.934 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -66.88 -28.82 68.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 74.109999999999999 110.856 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 93.1 m -62.08 127.04 29.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 65.340000000000003 110.895 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 21.8 t -73.07 -65.38 0.81 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 71.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 tppt? -161.03 138.15 8.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 73.25 110.958 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.484 ' O ' HD12 ' A' ' 20' ' ' LEU . 16.4 t0 65.37 18.94 11.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 74.310000000000002 110.902 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.484 HD12 ' O ' ' A' ' 19' ' ' ASP . 2.1 mp -122.35 154.52 37.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 74.209999999999994 110.961 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.5 m -142.96 128.15 16.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 71.530000000000001 111.121 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.7 t -61.39 113.33 2.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 74.430000000000007 110.864 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.62 112.04 23.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.118 -0.492 . . . . 73.329999999999998 110.858 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.3 t -66.73 -14.69 62.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 53.399999999999999 110.856 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.7 ttt85 -69.92 -49.3 53.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.067 -0.515 . . . . 75.209999999999994 110.91 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.631 ' CD1' HG11 ' A' ' 30' ' ' VAL . 13.0 m95 -92.91 -5.26 51.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.127 -0.488 . . . . 65.349999999999994 110.977 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt 69.58 25.08 5.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 75.019999999999996 110.901 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.473 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.64 168.87 15.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 74.439999999999998 110.82 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -70.1 137.27 51.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 65.420000000000002 110.906 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.631 HG11 ' CD1' ' A' ' 26' ' ' TRP . 8.8 m -125.49 154.44 34.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 70.230000000000004 111.158 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -55.15 114.73 1.89 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 75.230000000000004 110.895 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.81 140.32 30.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 73.109999999999999 111.11 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.6 m -93.54 160.52 32.79 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.701 0.762 . . . . 42.229999999999997 110.893 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.76 -24.24 29.92 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.671 2.247 . . . . 51.009999999999998 112.368 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 53.3 p90 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 72.030000000000001 110.802 -179.957 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 6.5 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.783 0.325 . . . . 73.409999999999997 110.867 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -84.36 174.08 10.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 73.010000000000005 110.878 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.9 p -130.22 -176.85 4.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 72.019999999999996 110.912 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.69 -155.06 0.15 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.734 -0.746 . . . . 51.200000000000003 112.477 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -170.56 172.32 5.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.855 0.359 . . . . 72.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -74.55 142.84 44.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 75.239999999999995 110.891 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 5.6 mtt 61.99 20.93 11.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 74.329999999999998 110.838 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 15.9 m0 -106.13 129.29 54.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.442 . . . . 73.150000000000006 110.87 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -50.51 149.05 3.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 71.409999999999997 110.906 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.6 p -156.65 144.53 19.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 71.0 110.866 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.66 -13.85 33.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 64.420000000000002 110.855 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -162.13 176.71 10.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 73.25 110.858 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.25 -9.22 58.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 64.120000000000005 110.92 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -72.14 -29.18 63.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 72.219999999999999 110.931 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -66.74 -28.92 68.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 74.109999999999999 110.877 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 90.9 m -61.62 127.11 29.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 65.340000000000003 110.919 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.1 t -72.87 -67.46 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 71.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -158.21 138.27 12.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 73.25 110.917 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.48 ' O ' HD12 ' A' ' 20' ' ' LEU . 1.1 m-20 64.31 19.79 11.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 74.310000000000002 110.887 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.48 HD12 ' O ' ' A' ' 19' ' ' ASP . 1.9 mp -122.6 151.92 40.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 74.209999999999994 110.958 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.2 m -141.03 128.19 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 71.530000000000001 111.18 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.9 t -60.09 113.59 2.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 74.430000000000007 110.835 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.62 112.48 24.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 73.329999999999998 110.821 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.5 m -68.23 -12.57 61.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 53.399999999999999 110.84 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 35.4 ttt180 -72.11 -45.92 58.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 75.209999999999994 110.884 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.643 ' CD1' HG11 ' A' ' 30' ' ' VAL . 13.5 m95 -96.58 -5.65 38.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 65.349999999999994 110.957 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt 69.94 25.16 4.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 75.019999999999996 110.842 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.478 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.71 168.51 16.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 74.439999999999998 110.893 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.57 137.03 52.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.26 -0.427 . . . . 65.420000000000002 110.875 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.643 HG11 ' CD1' ' A' ' 26' ' ' TRP . 11.5 m -126.11 153.4 34.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 70.230000000000004 111.197 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -54.74 114.58 1.76 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.427 . . . . 75.230000000000004 110.896 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.9 136.75 27.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 73.109999999999999 111.106 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.9 m -85.19 160.55 54.44 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-O 121.67 0.748 . . . . 42.229999999999997 110.822 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -15.49 37.04 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.68 2.253 . . . . 51.009999999999998 112.33 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.271 -0.422 . . . . 72.030000000000001 110.886 -179.994 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.852 0.358 . . . . 73.409999999999997 110.884 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -57.62 173.24 0.3 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.09 -0.504 . . . . 73.010000000000005 110.885 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.1 p -130.22 -176.75 4.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 72.019999999999996 110.876 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.77 -154.98 0.15 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.757 -0.735 . . . . 51.200000000000003 112.469 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -170.56 172.35 5.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.752 0.31 . . . . 72.0 110.882 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -74.65 142.95 44.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 75.239999999999995 110.863 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 7.1 mtt 61.98 20.78 11.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 74.329999999999998 110.821 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.0 m0 -106.05 129.46 54.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.318 -0.401 . . . . 73.150000000000006 110.908 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.5 mptt -50.57 150.99 2.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 71.409999999999997 110.897 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.9 p -158.99 145.28 16.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 71.0 110.928 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -90.15 -13.66 35.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 64.420000000000002 110.92 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -163.46 175.18 11.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 73.25 110.941 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.41 -9.2 58.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 64.120000000000005 110.899 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -72.14 -30.1 64.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 72.219999999999999 110.907 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.85 -25.36 66.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 74.109999999999999 110.881 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.0 m -63.86 128.74 37.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 65.340000000000003 110.906 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.9 t -73.38 -68.24 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 71.0 110.839 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.9 137.18 11.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 73.25 110.921 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.476 ' O ' HD12 ' A' ' 20' ' ' LEU . 23.4 t0 65.26 19.5 11.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 74.310000000000002 110.846 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.476 HD12 ' O ' ' A' ' 19' ' ' ASP . 2.0 mp -122.36 151.36 41.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.449 . . . . 74.209999999999994 110.887 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.9 m -140.45 128.05 23.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 71.530000000000001 111.12 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.2 t -60.17 113.7 2.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 74.430000000000007 110.855 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.53 112.78 25.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 73.329999999999998 110.872 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 76.3 p -68.22 -12.73 61.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 53.399999999999999 110.868 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 12.3 ttt85 -72.02 -46.31 57.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 75.209999999999994 110.909 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.646 ' CD1' HG11 ' A' ' 30' ' ' VAL . 13.2 m95 -96.23 -5.47 40.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.466 . . . . 65.349999999999994 110.935 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp 69.8 25.07 5.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 75.019999999999996 110.87 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.47 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.55 168.42 16.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.212 -0.449 . . . . 74.439999999999998 110.954 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.43 137.22 52.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 65.420000000000002 110.891 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.646 HG11 ' CD1' ' A' ' 26' ' ' TRP . 11.2 m -126.32 153.38 34.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 70.230000000000004 111.117 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -54.36 113.13 1.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 75.230000000000004 110.955 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.28 150.13 43.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 73.109999999999999 111.082 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.0 m -75.09 160.54 80.17 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.705 0.764 . . . . 42.229999999999997 110.839 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -19.19 36.65 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.74 2.293 . . . . 51.009999999999998 112.325 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 72.030000000000001 110.886 -179.943 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.924 0.392 . . . . 73.01 110.875 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.0 p -131.16 -176.81 4.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 72.02 110.862 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.63 -155.09 0.15 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.725 -0.75 . . . . 51.2 112.502 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -170.51 172.38 6.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.849 0.357 . . . . 72.0 110.935 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -74.52 142.8 44.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 75.24 110.857 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.6 mtt 62.02 20.78 11.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 74.33 110.89 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.1 m0 -106.09 128.93 54.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 73.15 110.92 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -50.46 149.66 3.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 71.41 110.887 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.0 p -156.59 141.78 17.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 71.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -87.91 -12.25 45.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 64.42 110.879 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -162.52 179.73 7.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 73.25 110.915 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.7 p -78.03 -9.19 59.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 64.12 110.827 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 49.0 m-20 -72.99 -27.69 61.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 72.22 110.88 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -66.87 -28.75 68.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 74.11 110.881 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 88.3 m -61.36 126.96 29.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 65.34 110.911 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.9 t -72.75 -67.06 0.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 71.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -159.33 137.46 10.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 73.25 110.903 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.478 ' O ' HD12 ' A' ' 20' ' ' LEU . 6.6 m-20 65.3 19.94 11.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 74.31 110.856 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.478 HD12 ' O ' ' A' ' 19' ' ' ASP . 2.0 mp -122.4 154.02 38.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 74.21 110.888 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.3 m -142.44 128.24 17.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 71.53 111.139 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.3 t -61.17 113.31 2.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 74.43 110.876 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.57 112.61 24.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 73.33 110.847 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.2 p -67.9 -12.75 61.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 53.4 110.853 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 35.7 ttt180 -72.09 -47.11 53.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 75.21 110.849 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.636 ' CD1' HG11 ' A' ' 30' ' ' VAL . 13.2 m95 -95.13 -5.41 44.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.236 -0.438 . . . . 65.35 110.935 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.9 mmtp 69.8 25.02 5.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 75.02 110.911 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.47 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.59 168.73 16.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 74.44 110.961 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -70.01 137.14 51.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 65.42 110.879 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.636 HG11 ' CD1' ' A' ' 26' ' ' TRP . 8.3 m -124.92 154.3 32.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 70.23 111.103 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -55.74 114.41 1.87 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 75.23 110.892 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.43 151.92 3.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 73.11 111.113 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 121.631 0.729 . . . . 42.23 110.887 -179.788 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.865 0.364 . . . . 73.01 110.903 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.0 p -130.15 -176.74 4.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 72.02 110.864 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.72 -155.02 0.15 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.766 -0.731 . . . . 51.2 112.507 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -170.61 172.35 5.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.762 0.315 . . . . 72.0 110.951 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -74.57 142.75 44.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 75.24 110.933 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 4.6 mtt 62.06 20.84 11.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 74.33 110.879 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.1 m0 -106.13 129.17 54.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.452 . . . . 73.15 110.958 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.66 150.31 2.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.273 -0.421 . . . . 71.41 110.874 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.4 p -157.49 142.21 16.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 71.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.3 ptpm? -88.08 -12.63 43.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 64.42 110.869 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -162.1 179.72 7.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 73.25 110.917 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.97 -9.2 58.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 64.12 110.848 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -72.99 -27.65 61.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 72.22 110.88 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -66.86 -28.77 68.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 74.11 110.866 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 89.8 m -61.36 127.55 32.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 65.34 110.902 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.9 t -73.23 -66.85 0.63 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 71.0 110.834 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.44 137.59 10.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 73.25 110.958 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.478 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.1 OUTLIER 65.16 19.94 11.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.424 . . . . 74.31 110.898 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.478 HD12 ' O ' ' A' ' 19' ' ' ASP . 2.0 mp -122.45 154.56 37.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.252 -0.431 . . . . 74.21 110.946 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.7 m -142.88 128.25 16.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 71.53 111.08 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.5 t -61.48 113.26 2.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 74.43 110.918 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.63 111.98 23.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 73.33 110.813 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.3 t -66.77 -14.43 62.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 53.4 110.899 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.4 ttt180 -70.24 -48.58 56.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 75.21 110.828 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.635 ' CD1' HG11 ' A' ' 30' ' ' VAL . 12.9 m95 -93.79 -5.19 48.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 65.35 110.89 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt 69.59 25.07 5.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 75.02 110.898 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.472 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.63 168.45 16.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 74.44 110.876 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.69 137.34 52.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 65.42 110.859 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.635 HG11 ' CD1' ' A' ' 26' ' ' TRP . 8.4 m -125.32 154.23 33.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 70.23 111.173 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -55.3 114.31 1.75 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.438 . . . . 75.23 110.964 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.06 138.1 38.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 73.11 111.108 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-O 121.637 0.732 . . . . 42.23 110.901 -179.778 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.844 0.354 . . . . 73.01 110.913 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.2 p -130.87 -176.77 4.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 72.02 110.952 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.81 -154.76 0.15 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.65 -0.786 . . . . 51.2 112.539 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -170.62 172.27 5.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.848 0.356 . . . . 72.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -74.54 142.88 44.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 75.24 110.951 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.2 mtt 61.97 20.98 11.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 74.33 110.93 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.0 m0 -106.25 128.97 54.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 73.15 110.945 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -50.57 148.79 3.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 71.41 110.955 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.5 p -155.29 144.26 20.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 71.0 110.867 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.9 ptpp? -89.96 -13.47 36.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 64.42 110.912 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.8 m-20 -162.13 179.71 7.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 73.25 110.863 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.6 p -77.13 -9.08 58.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 64.12 110.946 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -73.58 -27.99 61.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.06 -0.518 . . . . 72.22 110.855 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.83 -28.03 68.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 74.11 110.845 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 88.0 m -62.57 127.51 31.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 65.34 110.833 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.4 t -72.85 -67.97 0.52 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 71.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 tppt? -158.18 137.41 11.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 73.25 110.94 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.475 ' O ' HD12 ' A' ' 20' ' ' LEU . 7.7 m-20 65.19 19.91 11.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.443 . . . . 74.31 110.852 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.475 HD12 ' O ' ' A' ' 19' ' ' ASP . 2.0 mp -122.37 153.24 39.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 74.21 110.89 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.6 m -141.94 128.2 19.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 71.53 111.119 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.3 t -60.85 113.6 2.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 74.43 110.853 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.64 112.73 24.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.482 . . . . 73.33 110.873 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 80.7 p -68.14 -12.62 61.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 53.4 110.874 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.3 ttt85 -72.19 -46.79 54.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 75.21 110.928 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.638 ' CD1' HG11 ' A' ' 30' ' ' VAL . 12.9 m95 -95.65 -5.45 42.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 65.35 110.907 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.3 mmtt 69.82 25.07 5.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 75.02 110.883 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.471 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.51 168.36 16.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 74.44 110.912 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.47 137.15 52.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 65.42 110.951 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.638 HG11 ' CD1' ' A' ' 26' ' ' TRP . 9.6 m -125.29 153.97 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 70.23 111.156 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -55.63 113.47 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 75.23 110.895 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.42 141.99 45.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.119 -0.492 . . . . 73.11 111.126 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 121.704 0.764 . . . . 42.23 110.894 -179.822 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.87 0.367 . . . . 73.01 110.922 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.6 p -130.27 -176.73 4.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 72.02 110.86 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.5 -154.81 0.21 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.749 -0.738 . . . . 51.2 112.479 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -170.5 172.31 6.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.787 0.327 . . . . 72.0 110.912 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -74.52 142.65 44.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 75.24 110.871 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 62.15 21.25 12.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 74.33 110.895 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.1 m0 -106.53 128.99 54.54 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.214 -0.448 . . . . 73.15 110.868 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.55 149.76 3.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 71.41 110.912 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.2 p -156.9 142.25 17.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 71.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.5 mtmm -87.82 -13.78 41.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 64.42 110.863 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -160.94 179.75 8.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.261 -0.427 . . . . 73.25 110.835 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.3 p -78.09 -9.0 58.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 64.12 110.796 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -73.09 -27.9 61.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 72.22 110.858 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -66.87 -27.26 67.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 74.11 110.819 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 89.2 m -62.96 126.7 28.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 65.34 110.879 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.9 t -72.11 -68.46 0.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 71.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.87 137.34 11.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 73.25 110.881 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.482 ' O ' HD12 ' A' ' 20' ' ' LEU . 4.8 t70 65.28 20.24 11.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 74.31 110.844 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.482 HD12 ' O ' ' A' ' 19' ' ' ASP . 2.1 mp -122.59 153.61 39.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 74.21 110.905 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.441 HG13 ' HB2' ' A' ' 32' ' ' ALA . 30.7 m -142.33 128.27 17.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 71.53 111.108 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.0 t -60.9 113.3 2.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 74.43 110.911 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.69 112.18 24.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 73.33 110.839 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 93.9 p -67.3 -14.06 62.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 53.4 110.869 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.1 ttt85 -70.61 -47.17 61.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 75.21 110.841 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.636 ' CD1' HG11 ' A' ' 30' ' ' VAL . 13.2 m95 -95.31 -5.37 43.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 65.35 110.956 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.1 mmmt 69.65 25.14 5.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 75.02 110.871 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.473 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.62 168.62 16.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 74.44 110.88 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.88 137.33 51.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 65.42 110.85 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.636 HG11 ' CD1' ' A' ' 26' ' ' TRP . 8.4 m -125.48 154.43 34.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 70.23 111.1 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -55.88 114.25 1.83 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 75.23 110.904 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.441 ' HB2' HG13 ' A' ' 21' ' ' VAL . . . -58.52 138.68 56.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 73.11 111.079 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 121.595 0.712 . . . . 42.23 110.885 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.909 0.385 . . . . 73.01 110.912 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.1 p -130.29 -176.71 4.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 72.02 110.9 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.97 -154.89 0.16 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.73 -0.747 . . . . 51.2 112.54 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -170.55 172.41 5.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.813 0.339 . . . . 72.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -74.72 142.93 44.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 75.24 110.887 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 3.3 mtt 61.89 20.83 11.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 74.33 110.922 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.0 m0 -106.03 129.28 54.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.187 -0.46 . . . . 73.15 110.867 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.9 mptt -50.79 150.43 2.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 71.41 110.886 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.5 p -157.48 141.89 16.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 71.0 110.934 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.8 mtmt -88.11 -12.13 45.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 64.42 110.897 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -162.2 179.71 7.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 73.25 110.893 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.2 p -78.41 -9.11 59.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 64.12 110.908 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 56.1 m-20 -73.21 -27.31 61.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.045 -0.525 . . . . 72.22 110.985 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -66.95 -28.63 68.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 74.11 110.833 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 89.1 m -61.51 127.94 33.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 65.34 110.908 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.3 t -73.37 -67.2 0.6 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 71.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -159.09 137.54 10.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 73.25 110.919 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.477 ' O ' HD12 ' A' ' 20' ' ' LEU . 1.4 t70 65.12 20.01 11.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 74.31 110.845 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.477 HD12 ' O ' ' A' ' 19' ' ' ASP . 2.0 mp -122.44 154.29 37.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 74.21 110.859 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.6 m -142.58 128.23 17.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 71.53 111.115 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.6 t -61.38 113.36 2.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 74.43 110.798 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.64 112.01 23.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 73.33 110.868 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.8 t -66.78 -14.86 63.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 53.4 110.862 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 42.7 ttt180 -69.81 -48.85 57.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 75.21 110.898 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.636 ' CD1' HG11 ' A' ' 30' ' ' VAL . 13.0 m95 -93.42 -5.16 49.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 65.35 110.921 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.0 mmmm 69.42 25.04 5.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 75.02 110.933 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.473 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.52 168.64 16.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 74.44 110.919 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.87 137.39 51.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 65.42 110.876 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.636 HG11 ' CD1' ' A' ' 26' ' ' TRP . 9.0 m -125.54 154.23 33.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 70.23 111.127 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -55.23 114.75 1.91 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 75.23 110.882 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.73 157.83 2.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 73.11 111.054 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 121.651 0.739 . . . . 42.23 110.869 -179.874 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.911 0.386 . . . . 73.01 110.897 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.0 p -130.24 -176.78 4.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 72.02 110.913 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.9 -154.74 0.15 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.753 -0.737 . . . . 51.2 112.417 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -170.58 172.31 5.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.817 0.341 . . . . 72.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -74.55 142.82 44.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 75.24 110.966 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.0 mtt 61.97 20.94 11.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 74.33 110.943 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 15.9 m0 -106.18 129.1 54.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 73.15 110.96 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.72 149.91 3.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 71.41 110.836 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.9 p -156.47 144.22 19.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 71.0 110.927 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -90.82 -8.95 48.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 64.42 110.805 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -166.23 179.71 5.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 73.25 110.893 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.83 -9.19 58.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 64.12 110.883 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -73.33 -28.16 61.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 72.22 110.96 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.86 -27.93 67.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.117 -0.492 . . . . 74.11 110.803 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 88.7 m -62.24 128.0 34.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 65.34 110.869 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 25.8 t -73.25 -68.1 0.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 71.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -158.28 137.28 11.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 73.25 110.891 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.48 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.1 OUTLIER 65.29 20.23 11.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 74.31 110.836 179.827 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.48 HD12 ' O ' ' A' ' 19' ' ' ASP . 2.0 mp -122.52 154.41 37.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 74.21 110.994 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.4 m -142.73 128.33 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 71.53 111.129 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.6 t -61.46 113.26 2.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 74.43 110.911 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.53 111.92 23.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 73.33 110.894 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.8 t -66.89 -13.98 62.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 53.4 110.849 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 46.4 ttt180 -70.71 -48.7 53.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 75.21 110.857 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.632 ' CD1' HG11 ' A' ' 30' ' ' VAL . 13.0 m95 -93.57 -5.3 49.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 65.35 110.953 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.5 mmmt 69.71 25.01 5.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 75.02 110.92 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.47 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.56 168.59 16.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.268 -0.423 . . . . 74.44 110.932 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.86 137.25 51.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 65.42 110.876 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.632 HG11 ' CD1' ' A' ' 26' ' ' TRP . 8.1 m -125.16 154.49 33.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.106 -0.497 . . . . 70.23 111.126 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -55.32 114.38 1.78 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 75.23 110.93 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.07 149.63 27.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 73.11 111.124 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 CA-C-O 121.647 0.737 . . . . 42.23 110.861 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.924 0.393 . . . . 73.01 110.875 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.7 p -129.87 -176.53 3.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 72.02 110.919 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.34 -155.91 0.16 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.762 -0.732 . . . . 51.2 112.53 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -170.44 172.46 6.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.779 0.323 . . . . 72.0 110.964 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -74.61 142.9 44.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.294 -0.412 . . . . 75.24 110.893 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER 61.91 20.83 11.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 74.33 110.874 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 15.8 m0 -106.01 129.1 54.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 73.15 110.87 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -50.7 150.54 2.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 71.41 110.9 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.9 p -157.81 142.21 16.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 71.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -88.36 -12.31 43.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 64.42 110.843 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -162.28 179.73 7.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.205 -0.452 . . . . 73.25 110.895 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.11 -9.21 59.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 64.12 110.822 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -72.86 -27.71 62.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 72.22 110.837 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -66.82 -28.7 68.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 74.11 110.897 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 94.3 m -62.01 127.94 33.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 65.34 110.865 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 21.8 t -73.69 -66.72 0.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 71.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -159.66 138.39 10.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.11 -0.495 . . . . 73.25 110.873 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.479 ' O ' HD12 ' A' ' 20' ' ' LEU . 33.0 t0 65.0 19.37 11.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 74.31 110.844 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.479 HD12 ' O ' ' A' ' 19' ' ' ASP . 2.0 mp -122.4 155.21 36.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 74.21 110.962 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.6 m -143.8 128.42 14.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 71.53 111.083 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.6 t -61.51 113.49 2.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 74.43 110.854 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.57 112.77 25.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 73.33 110.85 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.3 p -68.02 -12.64 61.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 53.4 110.863 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.3 ttt85 -72.25 -47.28 51.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.13 -0.486 . . . . 75.21 110.878 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.637 ' CD1' HG11 ' A' ' 30' ' ' VAL . 13.2 m95 -94.92 -5.48 44.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 65.35 110.902 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.8 mmtt 69.8 25.18 5.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 75.02 110.874 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.473 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.66 168.5 16.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.277 -0.42 . . . . 74.44 110.898 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.72 137.17 51.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 65.42 110.857 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.637 HG11 ' CD1' ' A' ' 26' ' ' TRP . 8.5 m -125.15 154.67 33.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.096 -0.502 . . . . 70.23 111.129 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -55.64 114.19 1.76 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 75.23 110.87 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.72 126.61 20.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 73.11 111.148 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 C--N 1.33 -0.273 0 CA-C-O 121.585 0.707 . . . . 42.23 110.904 -179.794 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.882 0.372 . . . . 73.01 110.907 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.2 p -130.26 -176.74 4.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 72.02 110.92 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.33 -154.72 0.19 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.697 -0.764 . . . . 51.2 112.501 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -170.53 172.42 5.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.83 0.348 . . . . 72.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -74.52 142.78 44.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 75.24 110.896 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 6.8 mtt 62.02 20.92 11.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 74.33 110.843 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.1 m0 -106.15 129.11 54.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 73.15 110.918 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.65 149.92 3.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.43 . . . . 71.41 110.884 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.5 p -156.91 141.82 17.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 71.0 110.842 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.5 ptpm? -88.03 -12.58 43.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 64.42 110.876 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -161.63 179.88 7.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 73.25 110.861 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.1 p -78.48 -9.17 59.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 64.12 110.828 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -73.33 -27.32 61.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 72.22 110.857 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -66.85 -28.61 68.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.46 . . . . 74.11 110.844 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 89.0 m -61.68 127.52 31.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 65.34 110.857 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.1 t -72.88 -67.28 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 71.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.99 137.3 10.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 73.25 110.889 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.474 ' O ' HD12 ' A' ' 20' ' ' LEU . 9.8 m-20 65.19 19.74 11.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 74.31 110.911 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.474 HD12 ' O ' ' A' ' 19' ' ' ASP . 1.9 mp -122.27 152.68 39.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 74.21 110.954 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.3 m -141.26 128.21 20.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 71.53 111.083 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.5 t -60.92 113.35 2.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 74.43 110.896 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.53 112.46 24.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 73.33 110.848 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.8 p -67.5 -13.39 62.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 53.4 110.835 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.2 ttt85 -71.37 -47.63 55.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 75.21 110.873 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.638 ' CD1' HG11 ' A' ' 30' ' ' VAL . 12.8 m95 -94.74 -5.33 45.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 65.35 110.91 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.3 mmmt 69.72 25.03 5.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 75.02 110.872 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.471 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.62 168.52 16.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.297 -0.41 . . . . 74.44 110.969 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.77 137.34 51.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 65.42 110.857 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.638 HG11 ' CD1' ' A' ' 26' ' ' TRP . 9.6 m -125.3 153.92 33.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.492 . . . . 70.23 111.156 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -55.82 114.78 2.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 75.23 110.937 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.68 157.29 7.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 73.11 111.141 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 121.66 0.743 . . . . 42.23 110.878 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.883 0.373 . . . . 73.01 110.885 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.3 p -130.52 -176.73 4.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 72.02 110.9 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.27 -154.85 0.19 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.804 -0.712 . . . . 51.2 112.471 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -170.6 172.35 5.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.797 0.332 . . . . 72.0 110.899 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -74.59 142.87 44.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 75.24 110.911 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER 61.88 20.94 11.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 74.33 110.957 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.0 m0 -106.15 129.2 54.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 73.15 110.907 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.1 mptt -50.48 150.75 2.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.293 -0.412 . . . . 71.41 110.941 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.5 p -158.21 143.18 16.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 71.0 110.853 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.92 -13.43 39.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 64.42 110.928 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -161.62 179.46 8.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 73.25 110.887 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.4 p -77.29 -9.12 58.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 64.12 110.817 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -72.55 -28.22 62.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 72.22 110.853 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -66.95 -28.79 68.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 74.11 110.779 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 90.3 m -61.37 126.97 29.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 65.34 110.873 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.9 t -72.84 -66.5 0.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 71.0 110.935 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.99 137.74 9.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 73.25 110.93 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.474 ' O ' HD12 ' A' ' 20' ' ' LEU . 6.7 t0 65.17 19.73 11.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 74.31 110.909 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.474 HD12 ' O ' ' A' ' 19' ' ' ASP . 1.9 mp -122.27 155.0 36.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 74.21 110.932 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.3 m -143.23 128.17 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 71.53 111.157 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.5 t -61.44 113.24 2.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.5 . . . . 74.43 110.882 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.56 112.72 24.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 73.33 110.888 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.1 t -67.91 -12.78 61.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 53.4 110.916 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 47.9 ttt180 -72.12 -47.21 52.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.049 -0.523 . . . . 75.21 110.854 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.633 ' CD1' HG11 ' A' ' 30' ' ' VAL . 13.3 m95 -94.98 -5.34 44.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 65.35 110.924 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.1 mmtp 69.93 25.0 5.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.286 -0.416 . . . . 75.02 110.866 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.469 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.74 168.86 15.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 74.44 110.939 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -70.15 137.1 50.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.288 -0.415 . . . . 65.42 110.852 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.633 HG11 ' CD1' ' A' ' 26' ' ' TRP . 8.5 m -124.52 154.57 32.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 70.23 111.149 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -55.93 113.97 1.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 75.23 110.999 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.24 130.19 30.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 73.11 111.095 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 121.615 0.721 . . . . 42.23 110.852 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.875 0.369 . . . . 73.01 110.892 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.0 p -131.58 -176.8 4.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 72.02 110.86 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.68 -155.06 0.15 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.757 -0.735 . . . . 51.2 112.53 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -170.53 172.3 6.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.807 0.337 . . . . 72.0 110.849 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -74.58 143.01 44.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.281 -0.418 . . . . 75.24 110.906 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 5.7 mtt 61.87 20.8 11.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 74.33 110.853 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.0 m0 -106.07 129.43 54.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 73.15 110.918 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.1 mptt -50.42 151.14 2.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 71.41 110.911 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.8 p -159.73 146.17 16.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 71.0 110.917 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.5 mmpt? -90.88 -14.73 31.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 64.42 110.932 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -162.81 176.01 10.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 73.25 110.846 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.41 -9.14 58.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 64.12 110.873 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -71.08 -30.69 66.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 72.22 110.917 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.89 -27.88 67.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 74.11 110.881 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 86.0 m -61.62 127.72 32.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 65.34 110.914 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.3 t -73.24 -67.64 0.56 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 71.0 110.867 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.27 137.13 11.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 73.25 110.893 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.48 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.2 OUTLIER 65.19 19.81 11.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 74.31 110.922 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.48 HD12 ' O ' ' A' ' 19' ' ' ASP . 2.0 mp -122.48 151.54 41.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 74.21 110.865 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.487 HG13 ' HB2' ' A' ' 32' ' ' ALA . 16.0 m -140.51 128.06 23.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 71.53 111.161 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.1 t -60.29 113.59 2.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 74.43 110.951 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.59 112.78 25.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 73.33 110.893 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.3 t -68.12 -12.67 61.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.087 -0.506 . . . . 53.4 110.839 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.6 ttt85 -72.18 -47.0 53.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 75.21 110.889 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.641 ' CD1' HG11 ' A' ' 30' ' ' VAL . 13.1 m95 -95.37 -5.5 43.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 65.35 110.931 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.0 mmtp 69.83 25.11 5.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 75.02 110.868 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.473 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.66 168.71 16.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 74.44 110.877 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.75 137.21 51.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 65.42 110.858 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.641 HG11 ' CD1' ' A' ' 26' ' ' TRP . 10.8 m -125.75 153.83 34.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 70.23 111.153 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -54.89 112.75 1.11 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.229 -0.441 . . . . 75.23 110.922 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.487 ' HB2' HG13 ' A' ' 21' ' ' VAL . . . -63.26 133.85 54.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 73.11 111.175 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 C--N 1.328 -0.352 0 CA-C-O 121.683 0.754 . . . . 42.23 110.834 -179.749 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.851 0.358 . . . . 73.01 110.917 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.2 p -130.93 -176.78 4.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 72.02 110.842 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.06 -154.92 0.17 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.734 -0.746 . . . . 51.2 112.525 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -170.59 172.33 5.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.863 0.363 . . . . 72.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -74.55 142.7 44.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 75.24 110.865 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 62.15 21.23 12.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 74.33 110.899 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 15.9 m0 -106.45 128.68 54.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 73.15 110.909 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -50.4 147.18 4.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 71.41 110.891 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.7 p -153.89 141.5 19.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 71.0 110.851 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -88.27 -10.36 49.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 64.42 110.907 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -164.14 179.78 6.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 73.25 110.831 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.6 p -78.5 -9.28 59.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 64.12 110.838 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 32.5 m-20 -73.13 -27.68 61.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 72.22 110.906 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -66.88 -28.29 68.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 74.11 110.873 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 90.1 m -61.78 126.41 27.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.267 -0.424 . . . . 65.34 110.893 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.2 t -72.19 -67.35 0.55 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 71.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.1 tppt? -158.59 137.52 11.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 73.25 110.861 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.477 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.1 OUTLIER 64.88 20.02 12.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 74.31 110.925 179.887 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.477 HD12 ' O ' ' A' ' 19' ' ' ASP . 2.0 mp -122.5 152.09 40.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 74.21 110.928 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 17.0 m -141.03 128.15 21.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 71.53 111.207 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.9 t -60.11 113.32 2.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 74.43 110.893 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.54 112.12 24.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 73.33 110.903 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.3 m -67.22 -14.56 63.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 53.4 110.833 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.6 ttt180 -70.03 -46.97 63.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 75.21 110.894 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.639 ' CD1' HG11 ' A' ' 30' ' ' VAL . 13.0 m95 -95.66 -5.28 42.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.167 -0.47 . . . . 65.35 110.885 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.3 mmmt 69.66 25.05 5.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 75.02 110.899 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.474 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.49 169.17 15.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.202 -0.454 . . . . 74.44 110.964 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -70.22 137.26 50.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 65.42 110.913 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.639 HG11 ' CD1' ' A' ' 26' ' ' TRP . 10.2 m -126.16 154.0 35.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 70.23 111.115 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -54.98 113.41 1.33 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 75.23 110.91 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.44 154.63 3.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 73.11 111.095 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 121.654 0.74 . . . . 42.23 110.868 -179.814 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.918 0.39 . . . . 73.01 110.843 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.2 p -130.27 -176.77 4.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 72.02 110.886 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.19 -155.05 0.19 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.769 -0.729 . . . . 51.2 112.49 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -170.61 172.43 5.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.846 0.355 . . . . 72.0 110.859 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -74.7 142.82 44.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 75.24 110.897 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.0 mtt 61.97 21.02 12.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 74.33 110.915 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.2 m0 -106.24 129.28 54.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 73.15 110.894 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -50.44 151.0 2.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 71.41 110.912 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.1 p -159.07 143.94 15.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 71.0 110.864 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.98 -12.74 37.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 64.42 110.838 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -162.94 175.99 10.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 73.25 110.895 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.0 -9.24 58.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 64.12 110.822 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -71.75 -29.12 64.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 72.22 110.88 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -66.78 -28.57 68.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 74.11 110.919 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 88.7 m -61.32 127.26 30.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 65.34 110.88 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.3 t -73.02 -66.17 0.71 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 71.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.28 137.74 9.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 73.25 110.851 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.476 ' O ' HD12 ' A' ' 20' ' ' LEU . 8.9 m-20 65.12 19.67 11.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 74.31 110.945 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.476 HD12 ' O ' ' A' ' 19' ' ' ASP . 2.0 mp -122.31 154.44 37.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 74.21 110.886 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.6 m -142.75 128.16 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.281 -0.418 . . . . 71.53 111.129 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.5 t -61.32 113.15 2.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 74.43 110.863 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.58 111.97 23.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 73.33 110.85 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.3 m -66.74 -14.94 63.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.492 . . . . 53.4 110.849 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -69.79 -48.69 58.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 75.21 110.926 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.637 ' CD1' HG11 ' A' ' 30' ' ' VAL . 13.6 m95 -93.43 -5.29 49.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 65.35 110.884 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 69.5 25.12 5.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 75.02 110.921 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.474 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.71 168.67 15.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.924 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.94 137.22 51.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 65.42 110.926 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.637 HG11 ' CD1' ' A' ' 26' ' ' TRP . 9.0 m -125.38 154.12 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 70.23 111.145 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -54.76 113.55 1.36 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 75.23 110.949 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.97 142.27 20.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 73.11 111.152 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 121.673 0.749 . . . . 42.23 110.836 -179.734 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.837 0.351 . . . . 73.01 110.893 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.2 p -130.26 -176.7 4.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 72.02 110.837 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.31 -155.38 0.21 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.728 -0.749 . . . . 51.2 112.495 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -170.51 172.51 5.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.792 0.33 . . . . 72.0 110.918 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -74.66 142.87 44.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 75.24 110.889 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.9 mtt 61.94 20.91 11.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 74.33 110.842 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.0 m0 -106.03 129.09 54.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.238 -0.437 . . . . 73.15 110.908 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.5 151.01 2.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 71.41 110.95 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.5 p -159.57 145.58 16.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.288 -0.415 . . . . 71.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.0 mttt -90.16 -9.49 48.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 64.42 110.904 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -167.94 179.62 4.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 73.25 110.854 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.22 -9.13 58.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 64.12 110.859 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -70.51 -30.89 67.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.067 -0.515 . . . . 72.22 110.879 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -66.84 -28.12 68.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.154 -0.476 . . . . 74.11 110.893 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 88.2 m -61.18 126.86 28.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 65.34 110.886 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.0 t -72.82 -65.65 0.77 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.451 . . . . 71.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -160.65 137.95 9.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 73.25 110.906 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.477 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.3 OUTLIER 65.08 19.53 11.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 74.31 110.875 179.903 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.477 HD12 ' O ' ' A' ' 19' ' ' ASP . 2.0 mp -122.39 154.32 37.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.158 -0.474 . . . . 74.21 110.917 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.5 m -142.71 128.08 16.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 71.53 111.117 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.4 t -61.22 113.05 2.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.161 -0.472 . . . . 74.43 110.881 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.54 112.02 23.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 73.33 110.845 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.1 t -66.56 -15.53 63.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 53.4 110.836 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.5 ttt180 -69.17 -49.32 57.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 75.21 110.844 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.639 ' CD1' HG11 ' A' ' 30' ' ' VAL . 13.0 m95 -92.87 -5.35 51.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 65.35 110.942 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt 69.54 25.12 5.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 75.02 110.94 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.473 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.69 168.51 16.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 74.44 110.873 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.68 137.26 51.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 65.42 110.864 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.639 HG11 ' CD1' ' A' ' 26' ' ' TRP . 8.6 m -125.46 154.28 33.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 70.23 111.124 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -55.21 113.9 1.57 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 75.23 110.958 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.44 157.29 3.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 73.11 111.108 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 121.669 0.747 . . . . 42.23 110.833 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.919 0.39 . . . . 73.01 110.897 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.2 p -130.27 -176.8 4.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 72.02 110.905 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.04 -154.76 0.16 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 51.2 112.461 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -170.55 172.38 5.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.803 0.335 . . . . 72.0 110.895 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -74.59 142.84 44.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 75.24 110.88 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.3 mtt 61.97 20.8 11.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 74.33 110.862 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 15.9 m0 -106.11 129.37 54.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 73.15 110.925 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -50.45 150.39 2.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 71.41 110.909 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.4 p -157.91 142.22 16.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 71.0 110.843 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.3 ptpm? -88.07 -13.8 40.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 64.42 110.916 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.1 p30 -161.03 179.75 8.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 73.25 110.882 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.74 -9.18 58.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 64.12 110.851 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -72.66 -27.99 62.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.055 -0.521 . . . . 72.22 110.88 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -66.82 -28.81 68.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 74.11 110.884 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 86.9 m -61.28 127.0 29.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.47 . . . . 65.34 110.824 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.1 t -72.82 -67.04 0.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 71.0 110.862 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? -159.06 137.3 10.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 73.25 110.896 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.474 ' O ' HD12 ' A' ' 20' ' ' LEU . 2.7 m-20 65.15 19.91 11.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 74.31 110.908 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.474 HD12 ' O ' ' A' ' 19' ' ' ASP . 1.9 mp -122.38 152.74 39.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 74.21 110.892 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.403 HG13 ' HB2' ' A' ' 32' ' ' ALA . 9.3 m -141.39 128.08 20.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 71.53 111.144 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.3 t -60.66 113.52 2.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 74.43 110.86 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.57 112.33 24.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 73.33 110.9 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.6 t -67.67 -13.15 61.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 53.4 110.871 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.0 ttt85 -71.85 -47.0 56.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 75.21 110.811 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.637 ' CD1' HG11 ' A' ' 30' ' ' VAL . 13.3 m95 -95.27 -5.1 44.42 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.238 -0.437 . . . . 65.35 110.939 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.9 mmtm 69.51 25.07 5.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 75.02 110.911 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.471 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.63 169.0 15.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 74.44 110.955 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -70.25 137.36 50.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 65.42 110.875 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.637 HG11 ' CD1' ' A' ' 26' ' ' TRP . 10.5 m -125.45 153.86 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 70.23 111.151 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -54.57 112.67 1.06 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 75.23 110.947 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.403 ' HB2' HG13 ' A' ' 21' ' ' VAL . . . -62.59 135.93 57.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 73.11 111.091 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 121.684 0.754 . . . . 42.23 110.787 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.921 0.391 . . . . 73.01 110.878 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.9 p -130.15 -176.81 4.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.068 -0.514 . . . . 72.02 110.888 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.32 -156.55 0.18 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.704 -0.76 . . . . 51.2 112.446 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -170.61 172.5 5.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.786 0.327 . . . . 72.0 110.942 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -74.58 142.74 44.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 75.24 110.823 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 3.4 mtt 61.95 20.99 11.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 74.33 110.885 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.2 m0 -106.12 129.27 54.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 73.15 110.934 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.53 151.33 2.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 71.41 110.884 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.0 p -159.37 143.9 15.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 71.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.47 -13.28 37.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 64.42 110.828 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -162.59 178.21 8.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 73.25 110.914 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.4 p -75.71 -9.1 58.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 64.12 110.909 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -71.59 -28.9 64.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.051 -0.522 . . . . 72.22 110.914 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -66.77 -28.9 68.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 74.11 110.915 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 98.1 m -61.9 126.69 28.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 65.34 110.903 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 20.9 t -73.08 -63.85 1.09 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 71.0 110.862 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.47 138.89 7.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 73.25 110.911 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.476 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.1 OUTLIER 65.12 18.08 11.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 74.31 110.886 179.852 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.476 HD12 ' O ' ' A' ' 19' ' ' ASP . 2.0 mp -122.17 154.14 37.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 74.21 110.945 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.5 m -142.83 128.21 16.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 71.53 111.169 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.4 t -60.86 113.43 2.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 74.43 110.804 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.62 112.5 24.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 73.33 110.822 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 80.7 p -67.96 -12.85 61.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 53.4 110.815 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.1 ttt180 -72.13 -46.46 56.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 75.21 110.873 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.637 ' CD1' HG11 ' A' ' 30' ' ' VAL . 13.9 m95 -95.73 -5.25 42.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.19 -0.459 . . . . 65.35 110.992 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt 69.81 25.04 5.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 75.02 110.926 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.468 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.77 168.98 15.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 74.44 110.876 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -70.27 137.08 50.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 65.42 110.919 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.637 HG11 ' CD1' ' A' ' 26' ' ' TRP . 9.4 m -124.92 154.58 32.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 70.23 111.149 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -55.97 114.21 1.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 75.23 110.898 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.33 161.05 1.01 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 73.11 111.124 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 121.628 0.727 . . . . 42.23 110.894 -179.795 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.928 0.394 . . . . 73.01 110.902 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.7 p -129.93 -176.54 3.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 72.02 110.947 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.24 -155.96 0.15 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.74 . . . . 51.2 112.521 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -170.51 172.49 5.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.835 0.35 . . . . 72.0 110.861 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -74.61 142.77 44.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 75.24 110.849 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.4 mtt 62.08 20.77 11.89 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.182 -0.463 . . . . 74.33 110.894 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.0 m0 -105.99 129.24 54.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.255 -0.429 . . . . 73.15 110.955 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -50.69 150.41 2.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 71.41 110.928 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.1 p -157.65 142.21 16.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 71.0 110.843 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.4 ptpm? -88.39 -12.99 41.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 64.42 110.963 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -161.54 179.1 8.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 73.25 110.923 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.1 p -77.59 -8.99 58.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 64.12 110.902 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -72.96 -27.5 61.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.098 -0.501 . . . . 72.22 110.918 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -66.88 -28.67 68.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.493 . . . . 74.11 110.876 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 92.4 m -62.05 127.27 30.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 65.34 110.917 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 21.1 t -73.21 -65.85 0.76 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 71.0 110.877 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -160.51 138.31 9.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 73.25 110.839 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.477 ' O ' HD12 ' A' ' 20' ' ' LEU . 6.7 m-20 65.05 19.05 11.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.203 -0.453 . . . . 74.31 110.894 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.477 HD12 ' O ' ' A' ' 19' ' ' ASP . 2.0 mp -122.3 154.31 37.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 74.21 110.9 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.4 m -142.8 128.24 16.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 71.53 111.077 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.6 t -61.13 113.28 2.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 74.43 110.89 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.61 112.12 24.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 73.33 110.848 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 87.5 p -67.0 -14.46 62.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 53.4 110.913 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.9 ttt85 -70.39 -48.13 57.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 75.21 110.863 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.637 ' CD1' HG11 ' A' ' 30' ' ' VAL . 13.5 m95 -94.04 -5.39 47.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 65.35 110.916 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.9 mmmt 69.68 24.97 5.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.243 -0.435 . . . . 75.02 110.926 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.473 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.54 168.61 16.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 74.44 110.932 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.83 137.22 51.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.286 -0.415 . . . . 65.42 110.879 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.637 HG11 ' CD1' ' A' ' 26' ' ' TRP . 9.2 m -125.3 154.43 33.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 70.23 111.151 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -55.67 114.41 1.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 75.23 110.946 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.9 123.58 13.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 73.11 111.095 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 121.737 0.779 . . . . 42.23 110.9 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.904 0.383 . . . . 73.01 110.873 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.7 p -130.02 -176.62 3.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 72.02 110.847 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.39 -156.03 0.17 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.667 -0.778 . . . . 51.2 112.486 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -170.54 172.45 5.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.86 0.362 . . . . 72.0 110.883 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -74.66 142.88 44.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 75.24 110.822 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.7 mtt 61.96 20.83 11.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 74.33 110.849 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 15.8 m0 -105.93 129.29 54.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.198 -0.455 . . . . 73.15 110.897 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -50.57 151.29 2.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.42 . . . . 71.41 110.937 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.7 p -159.72 144.16 14.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 71.0 110.863 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.6 mtmt -89.43 -10.44 46.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 64.42 110.871 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -165.96 179.74 5.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 73.25 110.884 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.2 p -76.95 -9.23 58.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 64.12 110.837 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -71.01 -29.77 65.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.119 -0.491 . . . . 72.22 110.861 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -66.88 -28.74 68.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 74.11 110.899 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 93.0 m -61.31 127.4 31.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 65.34 110.869 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 21.0 t -73.48 -64.81 0.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 71.0 110.929 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.96 138.31 9.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 73.25 110.928 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.474 ' O ' HD12 ' A' ' 20' ' ' LEU . 5.9 t0 64.94 18.39 11.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 74.31 110.819 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.474 HD12 ' O ' ' A' ' 19' ' ' ASP . 1.9 mp -122.15 151.6 40.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 74.21 110.946 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.461 HG13 ' HB2' ' A' ' 32' ' ' ALA . 17.7 m -140.59 128.06 23.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 71.53 111.126 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.3 t -60.17 113.51 2.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 74.43 110.872 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.61 111.84 23.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 73.33 110.819 -179.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.5 t -66.77 -14.98 63.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.105 -0.498 . . . . 53.4 110.882 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 16.0 ttt85 -69.68 -48.21 60.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 75.21 110.931 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.641 ' CD1' HG11 ' A' ' 30' ' ' VAL . 13.2 m95 -94.22 -5.2 47.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 65.35 110.935 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 69.56 25.06 5.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 75.02 110.891 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.471 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.62 168.62 16.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 74.44 110.911 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.75 137.35 51.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 65.42 110.823 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.641 HG11 ' CD1' ' A' ' 26' ' ' TRP . 10.4 m -126.17 153.91 34.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 70.23 111.131 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -55.22 113.2 1.29 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 75.23 110.99 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.461 ' HB2' HG13 ' A' ' 21' ' ' VAL . . . -61.32 147.02 46.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 73.11 111.114 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 121.681 0.753 . . . . 42.23 110.804 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.802 0.334 . . . . 73.01 110.969 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.9 p -130.25 -176.85 4.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 72.02 110.883 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.47 -156.23 0.18 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.738 -0.744 . . . . 51.2 112.451 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -170.52 172.45 5.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.786 0.327 . . . . 72.0 110.943 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -74.48 142.61 44.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.278 -0.419 . . . . 75.24 110.907 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER 62.11 20.83 11.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 74.33 110.858 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.3 m0 -106.09 129.18 54.23 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.244 -0.435 . . . . 73.15 110.842 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.7 mptt -50.74 150.7 2.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 71.41 110.879 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.2 p -157.92 142.35 16.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 71.0 110.847 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.1 ptpp? -88.18 -13.72 40.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 64.42 110.921 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -161.12 179.77 8.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 73.25 110.821 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.0 p -77.77 -9.18 58.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 64.12 110.847 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -72.75 -27.49 62.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.166 -0.47 . . . . 72.22 110.934 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -66.88 -28.82 68.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 74.11 110.856 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 93.1 m -62.08 127.04 29.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 65.34 110.895 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 21.8 t -73.07 -65.38 0.81 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 71.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 tppt? -161.03 138.15 8.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 73.25 110.958 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.484 ' O ' HD12 ' A' ' 20' ' ' LEU . 16.4 t0 65.37 18.94 11.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 74.31 110.902 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.484 HD12 ' O ' ' A' ' 19' ' ' ASP . 2.1 mp -122.35 154.52 37.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 74.21 110.961 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.5 m -142.96 128.15 16.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 71.53 111.121 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.7 t -61.39 113.33 2.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 74.43 110.864 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.62 112.04 23.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.118 -0.492 . . . . 73.33 110.858 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.3 t -66.73 -14.69 62.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 53.4 110.856 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.7 ttt85 -69.92 -49.3 53.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.067 -0.515 . . . . 75.21 110.91 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.631 ' CD1' HG11 ' A' ' 30' ' ' VAL . 13.0 m95 -92.91 -5.26 51.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.127 -0.488 . . . . 65.35 110.977 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt 69.58 25.08 5.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 75.02 110.901 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.473 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.64 168.87 15.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 74.44 110.82 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -70.1 137.27 51.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 65.42 110.906 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.631 HG11 ' CD1' ' A' ' 26' ' ' TRP . 8.8 m -125.49 154.44 34.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 70.23 111.158 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -55.15 114.73 1.89 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 75.23 110.895 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.81 140.32 30.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 73.11 111.11 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 121.701 0.762 . . . . 42.23 110.893 -179.806 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 N--CA 1.458 -0.052 0 CA-C-O 120.871 0.367 . . . . 73.01 110.878 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.9 p -130.22 -176.85 4.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 72.02 110.912 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.69 -155.06 0.15 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.734 -0.746 . . . . 51.2 112.477 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -170.56 172.32 5.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.855 0.359 . . . . 72.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -74.55 142.84 44.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 75.24 110.891 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 5.6 mtt 61.99 20.93 11.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 74.33 110.838 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 15.9 m0 -106.13 129.29 54.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.442 . . . . 73.15 110.87 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -50.51 149.05 3.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 71.41 110.906 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.6 p -156.65 144.53 19.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 71.0 110.866 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.66 -13.85 33.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 64.42 110.855 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -162.13 176.71 10.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 73.25 110.858 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.25 -9.22 58.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 64.12 110.92 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -72.14 -29.18 63.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 72.22 110.931 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -66.74 -28.92 68.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 74.11 110.877 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 90.9 m -61.62 127.11 29.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 65.34 110.919 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.1 t -72.87 -67.46 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 71.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -158.21 138.27 12.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 73.25 110.917 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.48 ' O ' HD12 ' A' ' 20' ' ' LEU . 1.1 m-20 64.31 19.79 11.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 74.31 110.887 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.48 HD12 ' O ' ' A' ' 19' ' ' ASP . 1.9 mp -122.6 151.92 40.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 74.21 110.958 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.2 m -141.03 128.19 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 71.53 111.18 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.9 t -60.09 113.59 2.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 74.43 110.835 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.62 112.48 24.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 73.33 110.821 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.5 m -68.23 -12.57 61.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 53.4 110.84 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 35.4 ttt180 -72.11 -45.92 58.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 75.21 110.884 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.643 ' CD1' HG11 ' A' ' 30' ' ' VAL . 13.5 m95 -96.58 -5.65 38.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 65.35 110.957 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt 69.94 25.16 4.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 75.02 110.842 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.478 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.71 168.51 16.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 74.44 110.893 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.57 137.03 52.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.26 -0.427 . . . . 65.42 110.875 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.643 HG11 ' CD1' ' A' ' 26' ' ' TRP . 11.5 m -126.11 153.4 34.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 70.23 111.197 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -54.74 114.58 1.76 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.427 . . . . 75.23 110.896 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.9 136.75 27.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 73.11 111.106 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--N 1.331 -0.225 0 CA-C-O 121.67 0.748 . . . . 42.23 110.822 -179.769 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.846 0.355 . . . . 73.01 110.885 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.1 p -130.22 -176.75 4.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 72.02 110.876 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.77 -154.98 0.15 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.757 -0.735 . . . . 51.2 112.469 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -170.56 172.35 5.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.752 0.31 . . . . 72.0 110.882 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -74.65 142.95 44.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 75.24 110.863 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 7.1 mtt 61.98 20.78 11.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 74.33 110.821 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.0 m0 -106.05 129.46 54.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.318 -0.401 . . . . 73.15 110.908 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.5 mptt -50.57 150.99 2.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 71.41 110.897 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.9 p -158.99 145.28 16.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 71.0 110.928 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -90.15 -13.66 35.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 64.42 110.92 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -163.46 175.18 11.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 73.25 110.941 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.41 -9.2 58.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 64.12 110.899 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -72.14 -30.1 64.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 72.22 110.907 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.85 -25.36 66.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 74.11 110.881 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.0 m -63.86 128.74 37.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 65.34 110.906 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.9 t -73.38 -68.24 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 71.0 110.839 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.9 137.18 11.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 73.25 110.921 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.476 ' O ' HD12 ' A' ' 20' ' ' LEU . 23.4 t0 65.26 19.5 11.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 74.31 110.846 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.476 HD12 ' O ' ' A' ' 19' ' ' ASP . 2.0 mp -122.36 151.36 41.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.449 . . . . 74.21 110.887 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.9 m -140.45 128.05 23.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 71.53 111.12 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.2 t -60.17 113.7 2.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 74.43 110.855 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.53 112.78 25.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 73.33 110.872 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 76.3 p -68.22 -12.73 61.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 53.4 110.868 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 12.3 ttt85 -72.02 -46.31 57.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 75.21 110.909 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.646 ' CD1' HG11 ' A' ' 30' ' ' VAL . 13.2 m95 -96.23 -5.47 40.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.466 . . . . 65.35 110.935 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp 69.8 25.07 5.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 75.02 110.87 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.47 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.55 168.42 16.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.212 -0.449 . . . . 74.44 110.954 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.43 137.22 52.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 65.42 110.891 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.646 HG11 ' CD1' ' A' ' 26' ' ' TRP . 11.2 m -126.32 153.38 34.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 70.23 111.117 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -54.36 113.13 1.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 75.23 110.955 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.28 150.13 43.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 73.11 111.082 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 121.705 0.764 . . . . 42.23 110.839 -179.728 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.0 p . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.891 0.377 . . . . 73.41 110.807 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -104.92 174.11 6.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.078 -0.51 . . . . 73.01 110.875 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.0 p -131.16 -176.81 4.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 72.02 110.862 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.63 -155.09 0.15 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.725 -0.75 . . . . 51.2 112.502 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -170.51 172.38 6.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.849 0.357 . . . . 72.0 110.935 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -74.52 142.8 44.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 75.24 110.857 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.6 mtt 62.02 20.78 11.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 74.33 110.89 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.1 m0 -106.09 128.93 54.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 73.15 110.92 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -50.46 149.66 3.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 71.41 110.887 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.0 p -156.59 141.78 17.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 71.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -87.91 -12.25 45.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 64.42 110.879 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -162.52 179.73 7.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 73.25 110.915 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.7 p -78.03 -9.19 59.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 64.12 110.827 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 49.0 m-20 -72.99 -27.69 61.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 72.22 110.88 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -66.87 -28.75 68.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 74.11 110.881 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 88.3 m -61.36 126.96 29.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 65.34 110.911 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.9 t -72.75 -67.06 0.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 71.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -159.33 137.46 10.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 73.25 110.903 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.478 ' O ' HD12 ' A' ' 20' ' ' LEU . 6.6 m-20 65.3 19.94 11.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 74.31 110.856 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.478 HD12 ' O ' ' A' ' 19' ' ' ASP . 2.0 mp -122.4 154.02 38.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 74.21 110.888 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.3 m -142.44 128.24 17.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 71.53 111.139 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.3 t -61.17 113.31 2.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 74.43 110.876 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.57 112.61 24.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 73.33 110.847 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.2 p -67.9 -12.75 61.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 53.4 110.853 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 35.7 ttt180 -72.09 -47.11 53.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 75.21 110.849 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.636 ' CD1' HG11 ' A' ' 30' ' ' VAL . 13.2 m95 -95.13 -5.41 44.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.236 -0.438 . . . . 65.35 110.935 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.9 mmtp 69.8 25.02 5.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 75.02 110.911 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.47 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.59 168.73 16.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 74.44 110.961 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -70.01 137.14 51.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 65.42 110.879 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.636 HG11 ' CD1' ' A' ' 26' ' ' TRP . 8.3 m -124.92 154.3 32.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 70.23 111.103 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -55.74 114.41 1.87 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 75.23 110.892 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.43 151.92 3.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 73.11 111.113 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.1 m -94.01 160.5 32.17 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.631 0.729 . . . . 42.23 110.887 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -23.87 30.47 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.654 2.236 . . . . 51.01 112.354 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 72.03 110.896 -179.974 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 52.0 m . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.826 0.346 . . . . 73.41 110.889 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -72.46 170.54 14.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 73.01 110.903 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.0 p -130.15 -176.74 4.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 72.02 110.864 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.72 -155.02 0.15 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.766 -0.731 . . . . 51.2 112.507 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -170.61 172.35 5.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.762 0.315 . . . . 72.0 110.951 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -74.57 142.75 44.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 75.24 110.933 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 4.6 mtt 62.06 20.84 11.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 74.33 110.879 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.1 m0 -106.13 129.17 54.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.452 . . . . 73.15 110.958 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.66 150.31 2.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.273 -0.421 . . . . 71.41 110.874 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.4 p -157.49 142.21 16.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 71.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.3 ptpm? -88.08 -12.63 43.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 64.42 110.869 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -162.1 179.72 7.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 73.25 110.917 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.97 -9.2 58.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 64.12 110.848 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -72.99 -27.65 61.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 72.22 110.88 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -66.86 -28.77 68.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 74.11 110.866 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 89.8 m -61.36 127.55 32.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 65.34 110.902 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.9 t -73.23 -66.85 0.63 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 71.0 110.834 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.44 137.59 10.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 73.25 110.958 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.478 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.1 OUTLIER 65.16 19.94 11.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.424 . . . . 74.31 110.898 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.478 HD12 ' O ' ' A' ' 19' ' ' ASP . 2.0 mp -122.45 154.56 37.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.252 -0.431 . . . . 74.21 110.946 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.7 m -142.88 128.25 16.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 71.53 111.08 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.5 t -61.48 113.26 2.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 74.43 110.918 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.63 111.98 23.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 73.33 110.813 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.3 t -66.77 -14.43 62.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 53.4 110.899 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.4 ttt180 -70.24 -48.58 56.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 75.21 110.828 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.635 ' CD1' HG11 ' A' ' 30' ' ' VAL . 12.9 m95 -93.79 -5.19 48.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 65.35 110.89 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt 69.59 25.07 5.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 75.02 110.898 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.472 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.63 168.45 16.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 74.44 110.876 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.69 137.34 52.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 65.42 110.859 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.635 HG11 ' CD1' ' A' ' 26' ' ' TRP . 8.4 m -125.32 154.23 33.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 70.23 111.173 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -55.3 114.31 1.75 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.438 . . . . 75.23 110.964 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.06 138.1 38.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 73.11 111.108 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.2 m -57.07 160.53 6.14 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.637 0.732 . . . . 42.23 110.901 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -27.73 26.31 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.689 2.26 . . . . 51.01 112.414 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 28.3 t80 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 72.03 110.92 179.974 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 34.6 p . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.793 0.33 . . . . 73.41 110.88 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -76.13 173.8 10.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 73.01 110.913 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.2 p -130.87 -176.77 4.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 72.02 110.952 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.81 -154.76 0.15 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.65 -0.786 . . . . 51.2 112.539 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -170.62 172.27 5.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.848 0.356 . . . . 72.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -74.54 142.88 44.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 75.24 110.951 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.2 mtt 61.97 20.98 11.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 74.33 110.93 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.0 m0 -106.25 128.97 54.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 73.15 110.945 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -50.57 148.79 3.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 71.41 110.955 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.5 p -155.29 144.26 20.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 71.0 110.867 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.9 ptpp? -89.96 -13.47 36.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 64.42 110.912 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.8 m-20 -162.13 179.71 7.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 73.25 110.863 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.6 p -77.13 -9.08 58.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 64.12 110.946 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -73.58 -27.99 61.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.06 -0.518 . . . . 72.22 110.855 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.83 -28.03 68.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 74.11 110.845 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 88.0 m -62.57 127.51 31.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 65.34 110.833 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.4 t -72.85 -67.97 0.52 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 71.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 tppt? -158.18 137.41 11.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 73.25 110.94 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.475 ' O ' HD12 ' A' ' 20' ' ' LEU . 7.7 m-20 65.19 19.91 11.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.443 . . . . 74.31 110.852 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.475 HD12 ' O ' ' A' ' 19' ' ' ASP . 2.0 mp -122.37 153.24 39.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 74.21 110.89 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.6 m -141.94 128.2 19.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 71.53 111.119 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.3 t -60.85 113.6 2.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 74.43 110.853 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.64 112.73 24.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.482 . . . . 73.33 110.873 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 80.7 p -68.14 -12.62 61.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 53.4 110.874 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.3 ttt85 -72.19 -46.79 54.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 75.21 110.928 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.638 ' CD1' HG11 ' A' ' 30' ' ' VAL . 12.9 m95 -95.65 -5.45 42.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 65.35 110.907 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.3 mmtt 69.82 25.07 5.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 75.02 110.883 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.471 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.51 168.36 16.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 74.44 110.912 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.47 137.15 52.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 65.42 110.951 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.638 HG11 ' CD1' ' A' ' 26' ' ' TRP . 9.6 m -125.29 153.97 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 70.23 111.156 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -55.63 113.47 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 75.23 110.895 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.42 141.99 45.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.119 -0.492 . . . . 73.11 111.126 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.5 m -82.14 160.54 62.67 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.704 0.764 . . . . 42.23 110.894 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -29.08 24.4 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.694 2.263 . . . . 51.01 112.337 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 75.9 t80 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.275 -0.42 . . . . 72.03 110.856 -179.977 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.4 p . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.826 0.346 . . . . 73.41 110.856 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -110.71 169.19 8.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 73.01 110.922 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.6 p -130.27 -176.73 4.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 72.02 110.86 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.5 -154.81 0.21 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.749 -0.738 . . . . 51.2 112.479 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -170.5 172.31 6.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.787 0.327 . . . . 72.0 110.912 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -74.52 142.65 44.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 75.24 110.871 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 62.15 21.25 12.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 74.33 110.895 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.1 m0 -106.53 128.99 54.54 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.214 -0.448 . . . . 73.15 110.868 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.55 149.76 3.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 71.41 110.912 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.2 p -156.9 142.25 17.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 71.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.5 mtmm -87.82 -13.78 41.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 64.42 110.863 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -160.94 179.75 8.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.261 -0.427 . . . . 73.25 110.835 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.3 p -78.09 -9.0 58.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 64.12 110.796 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -73.09 -27.9 61.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 72.22 110.858 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -66.87 -27.26 67.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 74.11 110.819 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 89.2 m -62.96 126.7 28.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 65.34 110.879 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.9 t -72.11 -68.46 0.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 71.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.87 137.34 11.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 73.25 110.881 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.482 ' O ' HD12 ' A' ' 20' ' ' LEU . 4.8 t70 65.28 20.24 11.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 74.31 110.844 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.482 HD12 ' O ' ' A' ' 19' ' ' ASP . 2.1 mp -122.59 153.61 39.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 74.21 110.905 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.441 HG13 ' HB2' ' A' ' 32' ' ' ALA . 30.7 m -142.33 128.27 17.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 71.53 111.108 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.0 t -60.9 113.3 2.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 74.43 110.911 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.69 112.18 24.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 73.33 110.839 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 93.9 p -67.3 -14.06 62.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 53.4 110.869 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.1 ttt85 -70.61 -47.17 61.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 75.21 110.841 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.636 ' CD1' HG11 ' A' ' 30' ' ' VAL . 13.2 m95 -95.31 -5.37 43.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 65.35 110.956 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.1 mmmt 69.65 25.14 5.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 75.02 110.871 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.473 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.62 168.62 16.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 74.44 110.88 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.88 137.33 51.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 65.42 110.85 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.636 HG11 ' CD1' ' A' ' 26' ' ' TRP . 8.4 m -125.48 154.43 34.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 70.23 111.1 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -55.88 114.25 1.83 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 75.23 110.904 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.441 ' HB2' HG13 ' A' ' 21' ' ' VAL . . . -58.52 138.68 56.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 73.11 111.079 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.82 160.58 81.63 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.595 0.712 . . . . 42.23 110.885 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -33.6 16.15 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.72 2.28 . . . . 51.01 112.311 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 23.5 t80 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.302 -0.408 . . . . 72.03 110.907 -179.994 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 58.8 m . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.796 0.331 . . . . 73.41 110.912 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -81.73 170.35 15.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 73.01 110.912 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.1 p -130.29 -176.71 4.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 72.02 110.9 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.97 -154.89 0.16 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.73 -0.747 . . . . 51.2 112.54 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -170.55 172.41 5.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.813 0.339 . . . . 72.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -74.72 142.93 44.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 75.24 110.887 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 3.3 mtt 61.89 20.83 11.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 74.33 110.922 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.0 m0 -106.03 129.28 54.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.187 -0.46 . . . . 73.15 110.867 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.9 mptt -50.79 150.43 2.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 71.41 110.886 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.5 p -157.48 141.89 16.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 71.0 110.934 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.8 mtmt -88.11 -12.13 45.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 64.42 110.897 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -162.2 179.71 7.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 73.25 110.893 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.2 p -78.41 -9.11 59.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 64.12 110.908 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 56.1 m-20 -73.21 -27.31 61.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.045 -0.525 . . . . 72.22 110.985 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -66.95 -28.63 68.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 74.11 110.833 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 89.1 m -61.51 127.94 33.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 65.34 110.908 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.3 t -73.37 -67.2 0.6 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 71.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -159.09 137.54 10.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 73.25 110.919 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.477 ' O ' HD12 ' A' ' 20' ' ' LEU . 1.4 t70 65.12 20.01 11.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 74.31 110.845 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.477 HD12 ' O ' ' A' ' 19' ' ' ASP . 2.0 mp -122.44 154.29 37.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 74.21 110.859 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.6 m -142.58 128.23 17.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 71.53 111.115 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.6 t -61.38 113.36 2.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 74.43 110.798 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.64 112.01 23.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 73.33 110.868 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.8 t -66.78 -14.86 63.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 53.4 110.862 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 42.7 ttt180 -69.81 -48.85 57.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 75.21 110.898 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.636 ' CD1' HG11 ' A' ' 30' ' ' VAL . 13.0 m95 -93.42 -5.16 49.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 65.35 110.921 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.0 mmmm 69.42 25.04 5.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 75.02 110.933 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.473 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.52 168.64 16.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 74.44 110.919 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.87 137.39 51.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 65.42 110.876 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.636 HG11 ' CD1' ' A' ' 26' ' ' TRP . 9.0 m -125.54 154.23 33.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 70.23 111.127 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -55.23 114.75 1.91 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 75.23 110.882 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.73 157.83 2.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 73.11 111.054 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.9 m -81.05 160.51 65.72 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.651 0.739 . . . . 42.23 110.869 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -23.07 31.25 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.734 2.29 . . . . 51.01 112.342 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.175 -0.466 . . . . 72.03 110.863 -179.909 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.833 0.349 . . . . 73.41 110.847 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -108.68 172.25 6.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 73.01 110.897 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.0 p -130.24 -176.78 4.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 72.02 110.913 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.9 -154.74 0.15 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.753 -0.737 . . . . 51.2 112.417 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -170.58 172.31 5.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.817 0.341 . . . . 72.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -74.55 142.82 44.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 75.24 110.966 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.0 mtt 61.97 20.94 11.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 74.33 110.943 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 15.9 m0 -106.18 129.1 54.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 73.15 110.96 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.72 149.91 3.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 71.41 110.836 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.9 p -156.47 144.22 19.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 71.0 110.927 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -90.82 -8.95 48.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 64.42 110.805 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -166.23 179.71 5.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 73.25 110.893 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.83 -9.19 58.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 64.12 110.883 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -73.33 -28.16 61.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 72.22 110.96 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.86 -27.93 67.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.117 -0.492 . . . . 74.11 110.803 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 88.7 m -62.24 128.0 34.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 65.34 110.869 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 25.8 t -73.25 -68.1 0.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 71.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -158.28 137.28 11.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 73.25 110.891 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.48 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.1 OUTLIER 65.29 20.23 11.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 74.31 110.836 179.827 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.48 HD12 ' O ' ' A' ' 19' ' ' ASP . 2.0 mp -122.52 154.41 37.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 74.21 110.994 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.4 m -142.73 128.33 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 71.53 111.129 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.6 t -61.46 113.26 2.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 74.43 110.911 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.53 111.92 23.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 73.33 110.894 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.8 t -66.89 -13.98 62.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 53.4 110.849 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 46.4 ttt180 -70.71 -48.7 53.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 75.21 110.857 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.632 ' CD1' HG11 ' A' ' 30' ' ' VAL . 13.0 m95 -93.57 -5.3 49.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 65.35 110.953 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.5 mmmt 69.71 25.01 5.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 75.02 110.92 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.47 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.56 168.59 16.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.268 -0.423 . . . . 74.44 110.932 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.86 137.25 51.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 65.42 110.876 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.632 HG11 ' CD1' ' A' ' 26' ' ' TRP . 8.1 m -125.16 154.49 33.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.106 -0.497 . . . . 70.23 111.126 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -55.32 114.38 1.78 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 75.23 110.93 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.07 149.63 27.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 73.11 111.124 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.73 160.65 38.11 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.647 0.737 . . . . 42.23 110.861 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -16.16 37.51 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.676 2.251 . . . . 51.01 112.379 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 35.6 t80 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 72.03 110.908 -179.959 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 18.1 m . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 120.88 0.371 . . . . 73.41 110.865 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.58 174.26 0.23 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 73.01 110.875 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.7 p -129.87 -176.53 3.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 72.02 110.919 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.34 -155.91 0.16 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.762 -0.732 . . . . 51.2 112.53 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -170.44 172.46 6.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.779 0.323 . . . . 72.0 110.964 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -74.61 142.9 44.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.294 -0.412 . . . . 75.24 110.893 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER 61.91 20.83 11.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 74.33 110.874 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 15.8 m0 -106.01 129.1 54.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 73.15 110.87 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -50.7 150.54 2.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 71.41 110.9 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.9 p -157.81 142.21 16.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 71.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -88.36 -12.31 43.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 64.42 110.843 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -162.28 179.73 7.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.205 -0.452 . . . . 73.25 110.895 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.11 -9.21 59.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 64.12 110.822 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -72.86 -27.71 62.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 72.22 110.837 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -66.82 -28.7 68.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 74.11 110.897 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 94.3 m -62.01 127.94 33.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 65.34 110.865 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 21.8 t -73.69 -66.72 0.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 71.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -159.66 138.39 10.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.11 -0.495 . . . . 73.25 110.873 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.479 ' O ' HD12 ' A' ' 20' ' ' LEU . 33.0 t0 65.0 19.37 11.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 74.31 110.844 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.479 HD12 ' O ' ' A' ' 19' ' ' ASP . 2.0 mp -122.4 155.21 36.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 74.21 110.962 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.6 m -143.8 128.42 14.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 71.53 111.083 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.6 t -61.51 113.49 2.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 74.43 110.854 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.57 112.77 25.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 73.33 110.85 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.3 p -68.02 -12.64 61.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 53.4 110.863 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.3 ttt85 -72.25 -47.28 51.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.13 -0.486 . . . . 75.21 110.878 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.637 ' CD1' HG11 ' A' ' 30' ' ' VAL . 13.2 m95 -94.92 -5.48 44.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 65.35 110.902 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.8 mmtt 69.8 25.18 5.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 75.02 110.874 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.473 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.66 168.5 16.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.277 -0.42 . . . . 74.44 110.898 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.72 137.17 51.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 65.42 110.857 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.637 HG11 ' CD1' ' A' ' 26' ' ' TRP . 8.5 m -125.15 154.67 33.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.096 -0.502 . . . . 70.23 111.129 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -55.64 114.19 1.76 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 75.23 110.87 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.72 126.61 20.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 73.11 111.148 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.7 m -84.63 160.57 55.94 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.585 0.707 . . . . 42.23 110.904 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -25.32 29.02 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.647 2.231 . . . . 51.01 112.394 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 72.03 110.879 -179.971 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 28.2 m . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.859 0.361 . . . . 73.41 110.852 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -93.25 164.64 13.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 73.01 110.907 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.2 p -130.26 -176.74 4.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 72.02 110.92 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.33 -154.72 0.19 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.697 -0.764 . . . . 51.2 112.501 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -170.53 172.42 5.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.83 0.348 . . . . 72.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -74.52 142.78 44.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 75.24 110.896 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 6.8 mtt 62.02 20.92 11.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 74.33 110.843 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.1 m0 -106.15 129.11 54.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 73.15 110.918 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.65 149.92 3.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.43 . . . . 71.41 110.884 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.5 p -156.91 141.82 17.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 71.0 110.842 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.5 ptpm? -88.03 -12.58 43.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 64.42 110.876 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -161.63 179.88 7.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 73.25 110.861 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.1 p -78.48 -9.17 59.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 64.12 110.828 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -73.33 -27.32 61.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 72.22 110.857 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -66.85 -28.61 68.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.46 . . . . 74.11 110.844 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 89.0 m -61.68 127.52 31.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 65.34 110.857 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.1 t -72.88 -67.28 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 71.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.99 137.3 10.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 73.25 110.889 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.474 ' O ' HD12 ' A' ' 20' ' ' LEU . 9.8 m-20 65.19 19.74 11.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 74.31 110.911 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.474 HD12 ' O ' ' A' ' 19' ' ' ASP . 1.9 mp -122.27 152.68 39.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 74.21 110.954 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.3 m -141.26 128.21 20.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 71.53 111.083 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.5 t -60.92 113.35 2.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 74.43 110.896 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.53 112.46 24.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 73.33 110.848 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.8 p -67.5 -13.39 62.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 53.4 110.835 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.2 ttt85 -71.37 -47.63 55.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 75.21 110.873 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.638 ' CD1' HG11 ' A' ' 30' ' ' VAL . 12.8 m95 -94.74 -5.33 45.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 65.35 110.91 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.3 mmmt 69.72 25.03 5.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 75.02 110.872 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.471 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.62 168.52 16.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.297 -0.41 . . . . 74.44 110.969 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.77 137.34 51.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 65.42 110.857 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.638 HG11 ' CD1' ' A' ' 26' ' ' TRP . 9.6 m -125.3 153.92 33.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.492 . . . . 70.23 111.156 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -55.82 114.78 2.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 75.23 110.937 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.68 157.29 7.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 73.11 111.141 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.18 160.69 42.33 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.66 0.743 . . . . 42.23 110.878 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 -39.37 6.42 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.673 2.248 . . . . 51.01 112.288 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 15.6 t80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.42 . . . . 72.03 110.847 -179.922 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 65.7 m . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.828 0.347 . . . . 73.41 110.893 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -114.87 173.51 6.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 73.01 110.885 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.3 p -130.52 -176.73 4.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 72.02 110.9 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.27 -154.85 0.19 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.804 -0.712 . . . . 51.2 112.471 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -170.6 172.35 5.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.797 0.332 . . . . 72.0 110.899 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -74.59 142.87 44.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 75.24 110.911 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER 61.88 20.94 11.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 74.33 110.957 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.0 m0 -106.15 129.2 54.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 73.15 110.907 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.1 mptt -50.48 150.75 2.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.293 -0.412 . . . . 71.41 110.941 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.5 p -158.21 143.18 16.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 71.0 110.853 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.92 -13.43 39.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 64.42 110.928 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -161.62 179.46 8.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 73.25 110.887 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.4 p -77.29 -9.12 58.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 64.12 110.817 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -72.55 -28.22 62.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 72.22 110.853 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -66.95 -28.79 68.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 74.11 110.779 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 90.3 m -61.37 126.97 29.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 65.34 110.873 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.9 t -72.84 -66.5 0.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 71.0 110.935 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.99 137.74 9.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 73.25 110.93 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.474 ' O ' HD12 ' A' ' 20' ' ' LEU . 6.7 t0 65.17 19.73 11.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 74.31 110.909 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.474 HD12 ' O ' ' A' ' 19' ' ' ASP . 1.9 mp -122.27 155.0 36.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 74.21 110.932 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.3 m -143.23 128.17 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 71.53 111.157 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.5 t -61.44 113.24 2.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.5 . . . . 74.43 110.882 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.56 112.72 24.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 73.33 110.888 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.1 t -67.91 -12.78 61.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 53.4 110.916 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 47.9 ttt180 -72.12 -47.21 52.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.049 -0.523 . . . . 75.21 110.854 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.633 ' CD1' HG11 ' A' ' 30' ' ' VAL . 13.3 m95 -94.98 -5.34 44.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 65.35 110.924 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.1 mmtp 69.93 25.0 5.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.286 -0.416 . . . . 75.02 110.866 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.469 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.74 168.86 15.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 74.44 110.939 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -70.15 137.1 50.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.288 -0.415 . . . . 65.42 110.852 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.633 HG11 ' CD1' ' A' ' 26' ' ' TRP . 8.5 m -124.52 154.57 32.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 70.23 111.149 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -55.93 113.97 1.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 75.23 110.999 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.24 130.19 30.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 73.11 111.095 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.66 160.21 4.27 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.615 0.721 . . . . 42.23 110.852 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -34.81 13.94 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.675 2.25 . . . . 51.01 112.338 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 72.03 110.899 -179.989 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.5 m . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.876 0.37 . . . . 73.41 110.802 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -105.37 174.09 6.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.098 -0.501 . . . . 73.01 110.892 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.0 p -131.58 -176.8 4.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 72.02 110.86 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.68 -155.06 0.15 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.757 -0.735 . . . . 51.2 112.53 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -170.53 172.3 6.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.807 0.337 . . . . 72.0 110.849 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -74.58 143.01 44.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.281 -0.418 . . . . 75.24 110.906 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 5.7 mtt 61.87 20.8 11.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 74.33 110.853 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.0 m0 -106.07 129.43 54.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 73.15 110.918 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.1 mptt -50.42 151.14 2.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 71.41 110.911 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.8 p -159.73 146.17 16.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 71.0 110.917 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.5 mmpt? -90.88 -14.73 31.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 64.42 110.932 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -162.81 176.01 10.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 73.25 110.846 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.41 -9.14 58.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 64.12 110.873 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -71.08 -30.69 66.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 72.22 110.917 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.89 -27.88 67.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 74.11 110.881 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 86.0 m -61.62 127.72 32.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 65.34 110.914 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.3 t -73.24 -67.64 0.56 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 71.0 110.867 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.27 137.13 11.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 73.25 110.893 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.48 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.2 OUTLIER 65.19 19.81 11.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 74.31 110.922 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.48 HD12 ' O ' ' A' ' 19' ' ' ASP . 2.0 mp -122.48 151.54 41.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 74.21 110.865 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.487 HG13 ' HB2' ' A' ' 32' ' ' ALA . 16.0 m -140.51 128.06 23.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 71.53 111.161 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.1 t -60.29 113.59 2.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 74.43 110.951 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.59 112.78 25.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 73.33 110.893 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.3 t -68.12 -12.67 61.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.087 -0.506 . . . . 53.4 110.839 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.6 ttt85 -72.18 -47.0 53.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 75.21 110.889 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.641 ' CD1' HG11 ' A' ' 30' ' ' VAL . 13.1 m95 -95.37 -5.5 43.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 65.35 110.931 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.0 mmtp 69.83 25.11 5.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 75.02 110.868 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.473 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.66 168.71 16.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 74.44 110.877 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.75 137.21 51.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 65.42 110.858 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.641 HG11 ' CD1' ' A' ' 26' ' ' TRP . 10.8 m -125.75 153.83 34.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 70.23 111.153 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -54.89 112.75 1.11 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.229 -0.441 . . . . 75.23 110.922 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.487 ' HB2' HG13 ' A' ' 21' ' ' VAL . . . -63.26 133.85 54.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 73.11 111.175 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.6 m -92.65 160.48 34.33 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.683 0.754 . . . . 42.23 110.834 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 -25.73 28.68 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.66 2.24 . . . . 51.01 112.344 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 52.2 t80 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.295 -0.411 . . . . 72.03 110.906 -179.919 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.5 t . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.842 0.353 . . . . 73.41 110.85 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -62.79 172.75 1.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 73.01 110.917 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.2 p -130.93 -176.78 4.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 72.02 110.842 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.06 -154.92 0.17 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.734 -0.746 . . . . 51.2 112.525 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -170.59 172.33 5.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.863 0.363 . . . . 72.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -74.55 142.7 44.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 75.24 110.865 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 62.15 21.23 12.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 74.33 110.899 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 15.9 m0 -106.45 128.68 54.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 73.15 110.909 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -50.4 147.18 4.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 71.41 110.891 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.7 p -153.89 141.5 19.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 71.0 110.851 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -88.27 -10.36 49.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 64.42 110.907 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -164.14 179.78 6.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 73.25 110.831 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.6 p -78.5 -9.28 59.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 64.12 110.838 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 32.5 m-20 -73.13 -27.68 61.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 72.22 110.906 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -66.88 -28.29 68.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 74.11 110.873 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 90.1 m -61.78 126.41 27.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.267 -0.424 . . . . 65.34 110.893 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.2 t -72.19 -67.35 0.55 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 71.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.1 tppt? -158.59 137.52 11.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 73.25 110.861 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.477 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.1 OUTLIER 64.88 20.02 12.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 74.31 110.925 179.887 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.477 HD12 ' O ' ' A' ' 19' ' ' ASP . 2.0 mp -122.5 152.09 40.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 74.21 110.928 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 17.0 m -141.03 128.15 21.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 71.53 111.207 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.9 t -60.11 113.32 2.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 74.43 110.893 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.54 112.12 24.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 73.33 110.903 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.3 m -67.22 -14.56 63.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 53.4 110.833 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.6 ttt180 -70.03 -46.97 63.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 75.21 110.894 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.639 ' CD1' HG11 ' A' ' 30' ' ' VAL . 13.0 m95 -95.66 -5.28 42.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.167 -0.47 . . . . 65.35 110.885 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.3 mmmt 69.66 25.05 5.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 75.02 110.899 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.474 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.49 169.17 15.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.202 -0.454 . . . . 74.44 110.964 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -70.22 137.26 50.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 65.42 110.913 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.639 HG11 ' CD1' ' A' ' 26' ' ' TRP . 10.2 m -126.16 154.0 35.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 70.23 111.115 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -54.98 113.41 1.33 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 75.23 110.91 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.44 154.63 3.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 73.11 111.095 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 m -94.65 160.53 31.22 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.654 0.74 . . . . 42.23 110.868 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -27.37 26.56 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.678 2.252 . . . . 51.01 112.38 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 19.8 t80 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 72.03 110.855 -179.975 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 35.0 p . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.815 0.341 . . . . 73.41 110.902 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -61.24 170.84 1.54 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 73.01 110.843 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.2 p -130.27 -176.77 4.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 72.02 110.886 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.19 -155.05 0.19 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.769 -0.729 . . . . 51.2 112.49 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -170.61 172.43 5.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.846 0.355 . . . . 72.0 110.859 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -74.7 142.82 44.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 75.24 110.897 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.0 mtt 61.97 21.02 12.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 74.33 110.915 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.2 m0 -106.24 129.28 54.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 73.15 110.894 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -50.44 151.0 2.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 71.41 110.912 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.1 p -159.07 143.94 15.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 71.0 110.864 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.98 -12.74 37.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 64.42 110.838 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -162.94 175.99 10.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 73.25 110.895 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.0 -9.24 58.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 64.12 110.822 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -71.75 -29.12 64.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 72.22 110.88 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -66.78 -28.57 68.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 74.11 110.919 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 88.7 m -61.32 127.26 30.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 65.34 110.88 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.3 t -73.02 -66.17 0.71 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 71.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.28 137.74 9.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 73.25 110.851 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.476 ' O ' HD12 ' A' ' 20' ' ' LEU . 8.9 m-20 65.12 19.67 11.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 74.31 110.945 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.476 HD12 ' O ' ' A' ' 19' ' ' ASP . 2.0 mp -122.31 154.44 37.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 74.21 110.886 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.6 m -142.75 128.16 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.281 -0.418 . . . . 71.53 111.129 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.5 t -61.32 113.15 2.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 74.43 110.863 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.58 111.97 23.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 73.33 110.85 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.3 m -66.74 -14.94 63.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.492 . . . . 53.4 110.849 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -69.79 -48.69 58.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 75.21 110.926 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.637 ' CD1' HG11 ' A' ' 30' ' ' VAL . 13.6 m95 -93.43 -5.29 49.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 65.35 110.884 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 69.5 25.12 5.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 75.02 110.921 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.474 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.71 168.67 15.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.924 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.94 137.22 51.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 65.42 110.926 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.637 HG11 ' CD1' ' A' ' 26' ' ' TRP . 9.0 m -125.38 154.12 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 70.23 111.145 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -54.76 113.55 1.36 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 75.23 110.949 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.97 142.27 20.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 73.11 111.152 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.9 m -62.26 160.62 30.64 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.673 0.749 . . . . 42.23 110.836 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -31.1 21.11 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.66 2.24 . . . . 51.01 112.355 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 47.9 p90 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 72.03 110.881 -179.942 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 11.5 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.842 0.354 . . . . 73.41 110.869 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -77.23 169.65 17.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 73.01 110.893 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.2 p -130.26 -176.7 4.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 72.02 110.837 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.31 -155.38 0.21 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.728 -0.749 . . . . 51.2 112.495 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -170.51 172.51 5.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.792 0.33 . . . . 72.0 110.918 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -74.66 142.87 44.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 75.24 110.889 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.9 mtt 61.94 20.91 11.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 74.33 110.842 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.0 m0 -106.03 129.09 54.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.238 -0.437 . . . . 73.15 110.908 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.5 151.01 2.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 71.41 110.95 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.5 p -159.57 145.58 16.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.288 -0.415 . . . . 71.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.0 mttt -90.16 -9.49 48.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 64.42 110.904 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -167.94 179.62 4.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 73.25 110.854 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.22 -9.13 58.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 64.12 110.859 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -70.51 -30.89 67.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.067 -0.515 . . . . 72.22 110.879 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -66.84 -28.12 68.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.154 -0.476 . . . . 74.11 110.893 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 88.2 m -61.18 126.86 28.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 65.34 110.886 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.0 t -72.82 -65.65 0.77 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.451 . . . . 71.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -160.65 137.95 9.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 73.25 110.906 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.477 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.3 OUTLIER 65.08 19.53 11.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 74.31 110.875 179.903 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.477 HD12 ' O ' ' A' ' 19' ' ' ASP . 2.0 mp -122.39 154.32 37.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.158 -0.474 . . . . 74.21 110.917 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.5 m -142.71 128.08 16.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 71.53 111.117 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.4 t -61.22 113.05 2.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.161 -0.472 . . . . 74.43 110.881 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.54 112.02 23.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 73.33 110.845 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.1 t -66.56 -15.53 63.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 53.4 110.836 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.5 ttt180 -69.17 -49.32 57.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 75.21 110.844 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.639 ' CD1' HG11 ' A' ' 30' ' ' VAL . 13.0 m95 -92.87 -5.35 51.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 65.35 110.942 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt 69.54 25.12 5.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 75.02 110.94 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.473 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.69 168.51 16.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 74.44 110.873 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.68 137.26 51.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 65.42 110.864 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.639 HG11 ' CD1' ' A' ' 26' ' ' TRP . 8.6 m -125.46 154.28 33.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 70.23 111.124 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -55.21 113.9 1.57 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 75.23 110.958 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.44 157.29 3.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 73.11 111.108 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.79 160.54 31.02 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.669 0.747 . . . . 42.23 110.833 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -33.47 16.68 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.658 2.239 . . . . 51.01 112.383 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 72.03 110.882 -179.99 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.863 0.363 . . . . 73.41 110.917 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -68.63 174.13 4.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.068 -0.515 . . . . 73.01 110.897 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.2 p -130.27 -176.8 4.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 72.02 110.905 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.04 -154.76 0.16 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 51.2 112.461 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -170.55 172.38 5.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.803 0.335 . . . . 72.0 110.895 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -74.59 142.84 44.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 75.24 110.88 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.3 mtt 61.97 20.8 11.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 74.33 110.862 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 15.9 m0 -106.11 129.37 54.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 73.15 110.925 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -50.45 150.39 2.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 71.41 110.909 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.4 p -157.91 142.22 16.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 71.0 110.843 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.3 ptpm? -88.07 -13.8 40.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 64.42 110.916 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.1 p30 -161.03 179.75 8.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 73.25 110.882 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.74 -9.18 58.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 64.12 110.851 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -72.66 -27.99 62.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.055 -0.521 . . . . 72.22 110.88 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -66.82 -28.81 68.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 74.11 110.884 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 86.9 m -61.28 127.0 29.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.47 . . . . 65.34 110.824 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.1 t -72.82 -67.04 0.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 71.0 110.862 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? -159.06 137.3 10.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 73.25 110.896 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.474 ' O ' HD12 ' A' ' 20' ' ' LEU . 2.7 m-20 65.15 19.91 11.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 74.31 110.908 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.474 HD12 ' O ' ' A' ' 19' ' ' ASP . 1.9 mp -122.38 152.74 39.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 74.21 110.892 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.403 HG13 ' HB2' ' A' ' 32' ' ' ALA . 9.3 m -141.39 128.08 20.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 71.53 111.144 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.3 t -60.66 113.52 2.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 74.43 110.86 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.57 112.33 24.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 73.33 110.9 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.6 t -67.67 -13.15 61.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 53.4 110.871 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.0 ttt85 -71.85 -47.0 56.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 75.21 110.811 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.637 ' CD1' HG11 ' A' ' 30' ' ' VAL . 13.3 m95 -95.27 -5.1 44.42 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.238 -0.437 . . . . 65.35 110.939 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.9 mmtm 69.51 25.07 5.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 75.02 110.911 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.471 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.63 169.0 15.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 74.44 110.955 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -70.25 137.36 50.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 65.42 110.875 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.637 HG11 ' CD1' ' A' ' 26' ' ' TRP . 10.5 m -125.45 153.86 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 70.23 111.151 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -54.57 112.67 1.06 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 75.23 110.947 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.403 ' HB2' HG13 ' A' ' 21' ' ' VAL . . . -62.59 135.93 57.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 73.11 111.091 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.33 160.54 54.03 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.684 0.754 . . . . 42.23 110.787 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 -31.93 19.47 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.621 2.214 . . . . 51.01 112.365 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 72.03 110.849 179.989 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.7 t . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.839 0.352 . . . . 73.41 110.87 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -83.67 173.45 11.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.497 . . . . 73.01 110.878 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.9 p -130.15 -176.81 4.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.068 -0.514 . . . . 72.02 110.888 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.32 -156.55 0.18 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.704 -0.76 . . . . 51.2 112.446 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -170.61 172.5 5.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.786 0.327 . . . . 72.0 110.942 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -74.58 142.74 44.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 75.24 110.823 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 3.4 mtt 61.95 20.99 11.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 74.33 110.885 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.2 m0 -106.12 129.27 54.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 73.15 110.934 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.53 151.33 2.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 71.41 110.884 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.0 p -159.37 143.9 15.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 71.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.47 -13.28 37.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 64.42 110.828 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -162.59 178.21 8.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 73.25 110.914 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.4 p -75.71 -9.1 58.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 64.12 110.909 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -71.59 -28.9 64.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.051 -0.522 . . . . 72.22 110.914 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -66.77 -28.9 68.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 74.11 110.915 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 98.1 m -61.9 126.69 28.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 65.34 110.903 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 20.9 t -73.08 -63.85 1.09 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 71.0 110.862 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.47 138.89 7.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 73.25 110.911 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.476 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.1 OUTLIER 65.12 18.08 11.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 74.31 110.886 179.852 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.476 HD12 ' O ' ' A' ' 19' ' ' ASP . 2.0 mp -122.17 154.14 37.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 74.21 110.945 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.5 m -142.83 128.21 16.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 71.53 111.169 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.4 t -60.86 113.43 2.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 74.43 110.804 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.62 112.5 24.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 73.33 110.822 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 80.7 p -67.96 -12.85 61.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 53.4 110.815 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.1 ttt180 -72.13 -46.46 56.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 75.21 110.873 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.637 ' CD1' HG11 ' A' ' 30' ' ' VAL . 13.9 m95 -95.73 -5.25 42.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.19 -0.459 . . . . 65.35 110.992 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt 69.81 25.04 5.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 75.02 110.926 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.468 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.77 168.98 15.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 74.44 110.876 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -70.27 137.08 50.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 65.42 110.919 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.637 HG11 ' CD1' ' A' ' 26' ' ' TRP . 9.4 m -124.92 154.58 32.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 70.23 111.149 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -55.97 114.21 1.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 75.23 110.898 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.33 161.05 1.01 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 73.11 111.124 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.2 m -63.79 160.57 44.32 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.628 0.727 . . . . 42.23 110.894 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 -21.77 33.18 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.693 2.262 . . . . 51.01 112.324 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 13.9 t80 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.29 -0.413 . . . . 72.03 110.899 -179.969 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 69.2 m . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.821 0.343 . . . . 73.41 110.827 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.12 174.24 0.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 73.01 110.902 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.7 p -129.93 -176.54 3.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 72.02 110.947 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.24 -155.96 0.15 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.74 . . . . 51.2 112.521 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -170.51 172.49 5.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.835 0.35 . . . . 72.0 110.861 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -74.61 142.77 44.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 75.24 110.849 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.4 mtt 62.08 20.77 11.89 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.182 -0.463 . . . . 74.33 110.894 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.0 m0 -105.99 129.24 54.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.255 -0.429 . . . . 73.15 110.955 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -50.69 150.41 2.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 71.41 110.928 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.1 p -157.65 142.21 16.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 71.0 110.843 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.4 ptpm? -88.39 -12.99 41.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 64.42 110.963 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -161.54 179.1 8.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 73.25 110.923 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.1 p -77.59 -8.99 58.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 64.12 110.902 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -72.96 -27.5 61.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.098 -0.501 . . . . 72.22 110.918 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -66.88 -28.67 68.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.493 . . . . 74.11 110.876 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 92.4 m -62.05 127.27 30.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 65.34 110.917 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 21.1 t -73.21 -65.85 0.76 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 71.0 110.877 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -160.51 138.31 9.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 73.25 110.839 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.477 ' O ' HD12 ' A' ' 20' ' ' LEU . 6.7 m-20 65.05 19.05 11.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.203 -0.453 . . . . 74.31 110.894 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.477 HD12 ' O ' ' A' ' 19' ' ' ASP . 2.0 mp -122.3 154.31 37.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 74.21 110.9 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.4 m -142.8 128.24 16.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 71.53 111.077 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.6 t -61.13 113.28 2.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 74.43 110.89 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.61 112.12 24.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 73.33 110.848 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 87.5 p -67.0 -14.46 62.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 53.4 110.913 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.9 ttt85 -70.39 -48.13 57.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 75.21 110.863 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.637 ' CD1' HG11 ' A' ' 30' ' ' VAL . 13.5 m95 -94.04 -5.39 47.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 65.35 110.916 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.9 mmmt 69.68 24.97 5.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.243 -0.435 . . . . 75.02 110.926 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.473 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.54 168.61 16.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 74.44 110.932 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.83 137.22 51.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.286 -0.415 . . . . 65.42 110.879 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.637 HG11 ' CD1' ' A' ' 26' ' ' TRP . 9.2 m -125.3 154.43 33.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 70.23 111.151 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -55.67 114.41 1.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 75.23 110.946 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.9 123.58 13.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 73.11 111.095 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.2 160.51 64.13 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.737 0.779 . . . . 42.23 110.9 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -25.67 28.63 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.672 2.248 . . . . 51.01 112.332 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.433 . . . . 72.03 110.981 179.999 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 64.4 m . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.84 0.352 . . . . 73.41 110.861 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -57.76 174.25 0.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 73.01 110.873 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.7 p -130.02 -176.62 3.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 72.02 110.847 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.39 -156.03 0.17 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.667 -0.778 . . . . 51.2 112.486 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -170.54 172.45 5.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.86 0.362 . . . . 72.0 110.883 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -74.66 142.88 44.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 75.24 110.822 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.7 mtt 61.96 20.83 11.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 74.33 110.849 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 15.8 m0 -105.93 129.29 54.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.198 -0.455 . . . . 73.15 110.897 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -50.57 151.29 2.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.42 . . . . 71.41 110.937 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.7 p -159.72 144.16 14.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 71.0 110.863 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.6 mtmt -89.43 -10.44 46.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 64.42 110.871 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -165.96 179.74 5.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 73.25 110.884 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.2 p -76.95 -9.23 58.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 64.12 110.837 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -71.01 -29.77 65.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.119 -0.491 . . . . 72.22 110.861 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -66.88 -28.74 68.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 74.11 110.899 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 93.0 m -61.31 127.4 31.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 65.34 110.869 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 21.0 t -73.48 -64.81 0.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 71.0 110.929 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.96 138.31 9.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 73.25 110.928 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.474 ' O ' HD12 ' A' ' 20' ' ' LEU . 5.9 t0 64.94 18.39 11.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 74.31 110.819 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.474 HD12 ' O ' ' A' ' 19' ' ' ASP . 1.9 mp -122.15 151.6 40.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 74.21 110.946 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.461 HG13 ' HB2' ' A' ' 32' ' ' ALA . 17.7 m -140.59 128.06 23.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 71.53 111.126 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.3 t -60.17 113.51 2.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 74.43 110.872 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.61 111.84 23.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 73.33 110.819 -179.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.5 t -66.77 -14.98 63.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.105 -0.498 . . . . 53.4 110.882 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 16.0 ttt85 -69.68 -48.21 60.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 75.21 110.931 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.641 ' CD1' HG11 ' A' ' 30' ' ' VAL . 13.2 m95 -94.22 -5.2 47.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 65.35 110.935 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 69.56 25.06 5.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 75.02 110.891 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.471 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.62 168.62 16.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 74.44 110.911 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.75 137.35 51.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 65.42 110.823 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.641 HG11 ' CD1' ' A' ' 26' ' ' TRP . 10.4 m -126.17 153.91 34.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 70.23 111.131 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -55.22 113.2 1.29 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 75.23 110.99 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.461 ' HB2' HG13 ' A' ' 21' ' ' VAL . . . -61.32 147.02 46.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 73.11 111.114 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -77.1 160.59 75.7 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.681 0.753 . . . . 42.23 110.804 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.83 -32.61 17.93 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.636 2.224 . . . . 51.01 112.353 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.5 t80 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 72.03 110.858 -179.964 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.6 t . . . . . 0 C--O 1.23 0.037 0 CA-C-O 120.855 0.359 . . . . 73.41 110.925 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -53.53 172.4 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.082 -0.508 . . . . 73.01 110.969 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.9 p -130.25 -176.85 4.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 72.02 110.883 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.47 -156.23 0.18 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.738 -0.744 . . . . 51.2 112.451 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -170.52 172.45 5.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.786 0.327 . . . . 72.0 110.943 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -74.48 142.61 44.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.278 -0.419 . . . . 75.24 110.907 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER 62.11 20.83 11.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 74.33 110.858 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.3 m0 -106.09 129.18 54.23 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.244 -0.435 . . . . 73.15 110.842 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.7 mptt -50.74 150.7 2.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 71.41 110.879 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.2 p -157.92 142.35 16.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 71.0 110.847 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.1 ptpp? -88.18 -13.72 40.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 64.42 110.921 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -161.12 179.77 8.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 73.25 110.821 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.0 p -77.77 -9.18 58.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 64.12 110.847 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -72.75 -27.49 62.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.166 -0.47 . . . . 72.22 110.934 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -66.88 -28.82 68.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 74.11 110.856 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 93.1 m -62.08 127.04 29.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 65.34 110.895 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 21.8 t -73.07 -65.38 0.81 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 71.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 tppt? -161.03 138.15 8.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 73.25 110.958 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.484 ' O ' HD12 ' A' ' 20' ' ' LEU . 16.4 t0 65.37 18.94 11.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 74.31 110.902 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.484 HD12 ' O ' ' A' ' 19' ' ' ASP . 2.1 mp -122.35 154.52 37.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 74.21 110.961 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.5 m -142.96 128.15 16.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 71.53 111.121 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.7 t -61.39 113.33 2.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 74.43 110.864 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.62 112.04 23.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.118 -0.492 . . . . 73.33 110.858 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.3 t -66.73 -14.69 62.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 53.4 110.856 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.7 ttt85 -69.92 -49.3 53.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.067 -0.515 . . . . 75.21 110.91 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.631 ' CD1' HG11 ' A' ' 30' ' ' VAL . 13.0 m95 -92.91 -5.26 51.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.127 -0.488 . . . . 65.35 110.977 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt 69.58 25.08 5.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 75.02 110.901 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.473 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.64 168.87 15.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 74.44 110.82 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -70.1 137.27 51.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 65.42 110.906 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.631 HG11 ' CD1' ' A' ' 26' ' ' TRP . 8.8 m -125.49 154.44 34.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 70.23 111.158 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -55.15 114.73 1.89 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 75.23 110.895 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.81 140.32 30.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 73.11 111.11 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.6 m -93.54 160.52 32.79 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.701 0.762 . . . . 42.23 110.893 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.76 -24.24 29.92 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.671 2.247 . . . . 51.01 112.368 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 53.3 p90 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 72.03 110.802 -179.957 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 6.5 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.783 0.325 . . . . 73.41 110.867 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -84.36 174.08 10.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 73.01 110.878 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.9 p -130.22 -176.85 4.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 72.02 110.912 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.69 -155.06 0.15 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.734 -0.746 . . . . 51.2 112.477 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -170.56 172.32 5.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.855 0.359 . . . . 72.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -74.55 142.84 44.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 75.24 110.891 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 5.6 mtt 61.99 20.93 11.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 74.33 110.838 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 15.9 m0 -106.13 129.29 54.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.442 . . . . 73.15 110.87 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -50.51 149.05 3.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 71.41 110.906 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.6 p -156.65 144.53 19.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 71.0 110.866 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.66 -13.85 33.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 64.42 110.855 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -162.13 176.71 10.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 73.25 110.858 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.25 -9.22 58.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 64.12 110.92 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -72.14 -29.18 63.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 72.22 110.931 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -66.74 -28.92 68.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 74.11 110.877 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 90.9 m -61.62 127.11 29.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 65.34 110.919 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.1 t -72.87 -67.46 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 71.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -158.21 138.27 12.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 73.25 110.917 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.48 ' O ' HD12 ' A' ' 20' ' ' LEU . 1.1 m-20 64.31 19.79 11.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 74.31 110.887 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.48 HD12 ' O ' ' A' ' 19' ' ' ASP . 1.9 mp -122.6 151.92 40.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 74.21 110.958 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.2 m -141.03 128.19 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 71.53 111.18 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.9 t -60.09 113.59 2.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 74.43 110.835 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.62 112.48 24.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 73.33 110.821 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.5 m -68.23 -12.57 61.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 53.4 110.84 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 35.4 ttt180 -72.11 -45.92 58.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 75.21 110.884 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.643 ' CD1' HG11 ' A' ' 30' ' ' VAL . 13.5 m95 -96.58 -5.65 38.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 65.35 110.957 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt 69.94 25.16 4.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 75.02 110.842 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.478 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.71 168.51 16.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 74.44 110.893 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.57 137.03 52.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.26 -0.427 . . . . 65.42 110.875 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.643 HG11 ' CD1' ' A' ' 26' ' ' TRP . 11.5 m -126.11 153.4 34.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 70.23 111.197 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -54.74 114.58 1.76 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.427 . . . . 75.23 110.896 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.9 136.75 27.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 73.11 111.106 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.9 m -85.19 160.55 54.44 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-O 121.67 0.748 . . . . 42.23 110.822 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -15.49 37.04 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.68 2.253 . . . . 51.01 112.33 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.271 -0.422 . . . . 72.03 110.886 -179.994 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.852 0.358 . . . . 73.41 110.884 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -57.62 173.24 0.3 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.09 -0.504 . . . . 73.01 110.885 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.1 p -130.22 -176.75 4.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 72.02 110.876 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.77 -154.98 0.15 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.757 -0.735 . . . . 51.2 112.469 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -170.56 172.35 5.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.752 0.31 . . . . 72.0 110.882 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -74.65 142.95 44.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 75.24 110.863 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 7.1 mtt 61.98 20.78 11.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 74.33 110.821 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.0 m0 -106.05 129.46 54.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.318 -0.401 . . . . 73.15 110.908 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.5 mptt -50.57 150.99 2.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 71.41 110.897 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.9 p -158.99 145.28 16.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 71.0 110.928 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -90.15 -13.66 35.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 64.42 110.92 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -163.46 175.18 11.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 73.25 110.941 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.41 -9.2 58.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 64.12 110.899 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -72.14 -30.1 64.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 72.22 110.907 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.85 -25.36 66.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 74.11 110.881 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.0 m -63.86 128.74 37.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 65.34 110.906 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.9 t -73.38 -68.24 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 71.0 110.839 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.9 137.18 11.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 73.25 110.921 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.476 ' O ' HD12 ' A' ' 20' ' ' LEU . 23.4 t0 65.26 19.5 11.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 74.31 110.846 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.476 HD12 ' O ' ' A' ' 19' ' ' ASP . 2.0 mp -122.36 151.36 41.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.449 . . . . 74.21 110.887 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.9 m -140.45 128.05 23.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 71.53 111.12 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.2 t -60.17 113.7 2.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 74.43 110.855 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.53 112.78 25.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 73.33 110.872 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 76.3 p -68.22 -12.73 61.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 53.4 110.868 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 12.3 ttt85 -72.02 -46.31 57.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 75.21 110.909 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.646 ' CD1' HG11 ' A' ' 30' ' ' VAL . 13.2 m95 -96.23 -5.47 40.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.466 . . . . 65.35 110.935 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp 69.8 25.07 5.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 75.02 110.87 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.47 ' CE2' ' HB3' ' A' ' 26' ' ' TRP . 1.5 p90 -165.55 168.42 16.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.212 -0.449 . . . . 74.44 110.954 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.43 137.22 52.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 65.42 110.891 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.646 HG11 ' CD1' ' A' ' 26' ' ' TRP . 11.2 m -126.32 153.38 34.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 70.23 111.117 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -54.36 113.13 1.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 75.23 110.955 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.28 150.13 43.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 73.11 111.082 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.0 m -75.09 160.54 80.17 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.705 0.764 . . . . 42.23 110.839 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -19.19 36.65 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.74 2.293 . . . . 51.01 112.325 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 72.03 110.886 -179.943 . . . . . . . . 0 0 . 1 stop_ save_