data_2k9s_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 2k9s _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.73 0.3 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -79.08 148.49 32.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.828 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 30.3 m-20 -53.8 -45.43 70.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 31.0 mtm180 -59.28 -42.61 91.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.829 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 48.1 t -68.82 -38.64 79.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.09 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.95 -34.64 76.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -62.14 -34.66 76.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.65 -35.88 73.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.7 t -59.64 -33.84 72.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 65.1 mm-40 -60.77 -43.64 97.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -69.55 -48.55 59.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.8 mt -61.4 -35.95 69.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.112 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.1 t -57.28 -44.09 83.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.818 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -67.52 -34.55 77.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -95.73 17.93 14.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.7 tp -62.25 -26.43 68.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -93.48 -21.03 19.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.066 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -62.05 146.66 49.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m -88.79 -50.36 6.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -81.78 103.71 11.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -103.92 127.38 51.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -115.98 110.67 19.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.8 tt -57.16 -24.19 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.74 -44.9 90.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.13 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 72.7 m -64.2 -29.51 70.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.843 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 61.7 t -64.86 -48.01 86.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.08 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.56 -39.89 84.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -62.75 -37.21 85.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -57.95 -34.87 70.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 33.8 m -96.61 16.42 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 63.3 m 51.53 37.03 18.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.0 tp -138.64 163.98 30.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.1 m -73.96 159.89 83.08 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.681 0.753 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -39.44 6.6 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.721 2.281 . . . . 0.0 112.346 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.7 m -67.57 -46.89 71.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.1 tpp180 -65.21 -43.09 92.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.857 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.0 tp -68.83 -44.3 73.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 83.6 p -59.9 -39.92 87.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 16.7 t60 -59.5 -48.94 79.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.0 mt -71.89 -31.46 66.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -59.34 -50.23 74.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 27.9 ttp85 -68.5 -25.84 65.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -78.06 -40.43 38.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 41.2 mm-40 -81.48 -39.49 24.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.53 -16.86 31.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.89 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 67.85 8.48 53.23 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 21.1 pt -149.36 172.34 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.835 0.35 . . . . 0.0 111.16 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 m -77.36 146.63 36.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 29.4 t -54.02 -40.07 44.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.114 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 34.5 mt -62.12 -37.43 85.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 18.0 t -72.81 -43.21 63.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 52.6 t90 -58.73 -42.49 88.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.19 -47.13 87.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -65.92 -43.54 87.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.9 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -55.16 -49.03 72.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 16.9 mm100 -66.24 -34.91 79.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 39.0 mtt180 -59.21 -45.59 90.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 50.9 mm -70.88 -45.26 74.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.142 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 24.2 t -59.38 -38.37 80.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.82 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 21.0 tp60 -71.4 -38.45 71.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.72 -46.17 86.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.083 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -71.18 -33.39 69.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.1 tt -67.94 -50.11 57.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.955 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.5 pp -69.72 -37.74 76.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.913 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.0 mt -56.67 -28.97 61.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.0 p -74.46 -34.42 63.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.6 t -98.73 8.49 44.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.186 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 48.7 p -133.31 159.43 40.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.14 18.34 10.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 61.4 mtm -73.68 155.38 89.13 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.567 0.699 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 162.43 42.1 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.693 2.262 . . . . 0.0 112.294 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 43.8 mm -57.26 -30.85 36.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.181 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.96 -47.17 78.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.078 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 45.3 m -70.41 -44.6 67.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.14 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 81.8 t -56.14 -40.6 65.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.089 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.72 -40.79 89.46 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.514 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 26.4 mtp85 -57.74 -34.38 69.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.882 0.373 . . . . 0.0 110.862 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -62.09 -31.8 72.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.907 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 33.0 m -99.47 18.03 2.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.113 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 73.34 5.21 66.37 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.5 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -83.15 116.95 22.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.337 . . . . 0.0 110.891 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.31 -31.47 23.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -94.16 119.23 32.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -62.19 -40.77 97.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.927 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -68.89 -32.99 73.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -59.99 -41.7 92.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -66.83 -45.69 77.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 77.3 p -65.46 -37.99 88.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.824 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.4 mtp180 -62.97 -50.55 70.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 88.3 t -69.94 -46.54 73.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.138 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -61.45 -34.94 76.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.55 -48.71 76.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.82 -25.61 56.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 6.3 t -55.8 -49.91 71.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 70.5 p -108.72 -10.46 15.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.85 -6.11 66.91 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.467 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.61 148.96 46.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.807 0.337 . . . . 0.0 111.067 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.34 162.33 42.02 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.664 0.745 . . . . 0.0 110.835 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -32.97 17.47 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.688 2.259 . . . . 0.0 112.351 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.4 t -67.43 -33.98 76.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -74.28 -47.52 34.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -60.74 -47.15 87.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 29.8 ttt180 -62.96 -37.68 88.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.833 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.15 -26.41 63.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 81.28 11.92 82.82 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.458 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 4.4 t . . . . . 0 C--N 1.328 -0.363 0 CA-C-O 120.769 0.318 . . . . 0.0 110.867 -179.861 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.807 0.336 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -78.56 148.37 33.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.805 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -54.09 -45.44 71.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 72.5 mtm180 -61.04 -43.05 99.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 97.0 t -68.12 -37.82 78.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -54.4 -34.5 61.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -62.14 -38.61 89.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.97 -35.42 73.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.091 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 24.2 t -59.0 -34.02 71.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.822 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 41.4 tp60 -62.25 -45.93 91.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -69.83 -48.45 58.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 67.3 mt -61.14 -36.19 70.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.134 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.6 t -65.21 -41.81 94.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -66.82 -25.89 66.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -106.14 17.97 22.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.4 tp -58.77 -26.08 63.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -92.9 -20.98 20.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.084 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -63.25 145.35 55.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.823 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.2 p -82.08 -50.44 9.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -75.86 106.13 7.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -118.47 109.14 15.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -116.55 132.68 56.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.85 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.3 tt -69.3 -22.78 26.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.152 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.7 -44.89 90.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.6 t -68.13 -31.34 70.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.818 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 26.2 t -69.81 -42.23 79.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.82 -41.89 86.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -61.31 -37.06 81.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -57.88 -34.76 70.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 34.7 m -98.09 20.29 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.119 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 60.0 m 51.33 36.73 17.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -136.21 164.24 28.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.963 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.8 m -82.66 159.59 63.39 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.634 0.73 . . . . 0.0 110.908 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -36.58 10.44 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.697 2.264 . . . . 0.0 112.329 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.4 t -66.8 -46.63 74.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.7 mmt85 -71.83 -38.63 70.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.92 -44.84 72.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.941 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.5 t -60.71 -41.22 94.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -59.41 -48.52 81.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 79.7 mt -71.42 -31.47 67.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -57.72 -50.16 74.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -68.39 -25.29 64.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -77.97 -41.02 37.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -81.43 -39.29 25.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.37 -16.93 31.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.939 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 67.96 8.06 52.13 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.465 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 24.7 pt -149.63 171.16 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.854 0.359 . . . . 0.0 111.136 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.31 146.44 36.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 27.4 m -53.93 -38.21 36.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.129 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.6 mp -62.7 -38.52 90.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.2 t -73.05 -42.86 62.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 49.9 t90 -58.63 -42.44 88.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.926 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.7 -47.18 87.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -66.12 -46.68 76.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.919 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -55.72 -44.66 77.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -69.54 -35.47 75.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.9 mtp180 -62.74 -46.17 89.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.84 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 47.6 mm -66.26 -43.95 91.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.4 t -67.75 -31.05 70.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 30.6 tp60 -68.74 -44.04 74.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.87 -43.23 85.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.087 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.7 mtpt -71.27 -33.3 69.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.942 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.4 tp -67.91 -50.05 58.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.943 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.3 pp -69.34 -37.47 77.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.3 mt -62.7 -28.73 70.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.3 t -75.44 -21.17 58.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.832 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 4.6 t -110.35 0.56 18.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.103 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 30.2 p -133.21 164.32 27.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.49 18.33 10.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.804 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 68.9 mtm -66.79 155.71 88.83 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.542 0.687 . . . . 0.0 110.876 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 166.39 27.78 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.679 2.252 . . . . 0.0 112.378 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 37.0 mt -62.7 -30.94 50.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.128 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.53 -47.19 79.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.068 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 95.7 m -70.05 -45.15 67.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.136 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 85.6 t -56.23 -40.52 65.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.116 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.77 -44.29 91.81 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.452 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.4 mmm180 -57.71 -33.78 68.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.865 0.364 . . . . 0.0 110.865 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -61.3 -31.9 71.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 34.0 m -99.6 17.33 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.167 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 78.41 0.57 79.05 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.48 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -83.43 117.06 22.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.875 0.369 . . . . 0.0 110.867 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -85.4 -31.48 22.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.884 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -93.11 118.49 31.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -63.14 -41.21 99.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.913 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 18.5 mt -69.03 -32.61 72.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.932 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -60.03 -48.41 81.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.96 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -61.58 -46.67 88.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.4 m -65.22 -36.49 84.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 25.3 mtp85 -62.68 -51.76 65.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.917 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.7 p -71.18 -39.57 73.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -65.91 -36.04 82.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 18.1 ttpt -57.41 -48.12 79.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 33.6 mtpt -76.36 -25.55 54.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 2.2 m -59.06 -50.13 75.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 44.3 p -105.21 -10.4 17.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.63 -9.11 68.86 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.473 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.92 148.85 45.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.788 0.328 . . . . 0.0 111.151 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.09 162.74 36.41 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.672 0.748 . . . . 0.0 110.829 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -32.13 19.1 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.7 2.267 . . . . 0.0 112.335 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 48.4 t -67.41 -34.33 77.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -74.63 -47.76 30.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -58.58 -38.77 78.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.35 -37.7 86.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.67 -36.56 81.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 86.87 -9.13 73.18 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.505 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 31.5 p . . . . . 0 C--N 1.328 -0.343 0 CA-C-O 120.799 0.333 . . . . 0.0 110.884 -179.894 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 ttt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.81 0.338 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.72 148.3 22.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.855 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 26.1 t30 -64.92 -29.43 70.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -70.91 -49.78 42.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 27.5 m -69.84 -37.67 73.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.6 ttt-85 -59.09 -37.72 77.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -62.22 -44.78 95.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.58 -35.65 72.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.131 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 94.3 m -59.6 -34.3 72.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.8 tm0? -61.32 -43.03 99.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -69.39 -44.7 70.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.973 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.6 mt -62.9 -43.72 99.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.126 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 60.2 m -58.57 -41.77 86.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -65.7 -35.54 81.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -96.73 17.92 15.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.2 tp -60.68 -27.83 68.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.942 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.66 -21.09 24.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.046 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.99 141.08 58.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.849 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.0 t -80.95 -51.06 8.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 20.1 m-20 -78.47 107.43 11.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -112.66 125.32 54.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.868 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -116.05 112.15 21.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.837 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.5 tt -55.46 -25.71 18.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.112 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.18 -42.31 94.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 65.7 m -63.01 -29.35 70.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 99.0 t -67.25 -50.66 61.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.157 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.24 -41.67 85.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.134 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -62.54 -37.13 84.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -57.99 -34.88 70.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 26.8 m -97.23 17.01 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.153 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 54.8 m 51.6 36.77 18.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -137.56 164.03 29.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.36 157.74 84.4 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.675 0.75 . . . . 0.0 110.888 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -39.56 6.42 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.675 2.25 . . . . 0.0 112.35 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 72.5 m -67.65 -46.92 71.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.02 -41.66 86.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.906 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.8 tp -69.01 -44.48 72.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 86.7 p -59.97 -39.14 84.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 20.7 t60 -59.49 -49.22 78.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.8 mt -72.2 -31.95 66.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.951 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -58.5 -49.92 75.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -68.25 -25.84 65.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.816 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -78.06 -40.51 38.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 -81.4 -39.44 24.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.929 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.51 -16.82 31.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 67.39 9.01 53.89 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.526 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 20.2 pt -149.1 171.87 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.792 0.33 . . . . 0.0 111.149 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.3 p -77.2 149.27 35.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.2 t -54.13 -45.17 65.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.155 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.6 mp -60.71 -32.71 71.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.95 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.6 t -72.92 -45.83 55.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 69.7 t90 -59.08 -44.72 91.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -59.46 -47.06 86.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -65.96 -41.25 91.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -57.58 -45.68 84.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -70.16 -36.86 75.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 20.2 mtp180 -58.11 -46.68 85.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 50.1 mm -68.5 -38.42 79.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.8 p -65.21 -35.68 81.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -69.52 -39.56 77.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.43 -46.14 84.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.12 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -71.33 -33.28 69.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.1 tt -67.94 -50.06 58.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.4 pp -69.64 -37.61 76.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.1 mt -57.17 -28.94 63.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.967 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.2 m -73.2 -24.65 60.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.834 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.3 t -109.23 4.27 22.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 29.5 p -133.22 162.01 32.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.146 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -122.39 18.24 10.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 56.7 mtm -68.38 153.54 95.48 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.565 0.697 . . . . 0.0 110.847 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 166.37 27.74 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.692 2.261 . . . . 0.0 112.366 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 41.8 mm -58.59 -30.96 42.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.146 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.43 -47.17 77.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.072 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.0 m -67.15 -48.46 67.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.206 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.8 t -56.3 -40.76 68.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.62 -42.94 91.22 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.515 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 -57.23 -33.99 68.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.807 0.337 . . . . 0.0 110.861 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -63.53 -31.96 73.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 33.1 m -98.57 18.52 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.147 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 73.04 5.49 65.59 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -83.24 116.93 22.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.868 0.366 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -83.08 -31.5 27.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -95.72 119.18 33.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.919 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -62.24 -40.04 94.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 13.7 mt -68.88 -33.33 73.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -60.37 -41.55 93.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -66.66 -44.41 81.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.9 p -65.6 -37.41 86.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 16.5 mtp180 -62.97 -50.98 68.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 95.4 t -70.46 -45.7 73.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -61.44 -35.57 77.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.5 ttpt -56.82 -44.53 82.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -76.09 -25.68 55.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 36.1 t -59.43 -49.99 75.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 35.3 p -104.2 -10.95 17.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.16 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.67 -9.03 68.79 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.481 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.8 148.29 45.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.757 0.313 . . . . 0.0 111.113 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.85 162.58 35.91 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.688 0.756 . . . . 0.0 110.819 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -32.05 19.22 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.704 2.269 . . . . 0.0 112.335 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 55.1 p -67.51 -34.19 76.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -74.69 -47.7 30.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -58.53 -40.4 82.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.907 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 40.5 ttt180 -59.53 -39.13 82.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.24 -27.29 67.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.024 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 87.1 11.88 69.01 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.499 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 4.1 t . . . . . 0 C--N 1.328 -0.356 0 CA-C-O 120.784 0.326 . . . . 0.0 110.882 -179.888 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.78 0.324 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -78.66 148.61 33.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -53.82 -45.16 70.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -70.36 -41.08 73.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.832 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.6 t -62.65 -38.61 82.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.58 -37.71 88.37 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.893 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -62.37 -34.02 75.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.35 -35.3 77.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.074 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 33.7 t -59.13 -34.22 71.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -65.43 -45.28 84.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -69.63 -48.54 59.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 11.0 mt -61.26 -40.87 87.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.161 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.8 t -57.0 -43.41 81.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -67.4 -21.95 65.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -101.33 17.86 21.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.3 tt -60.04 -30.88 69.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.977 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -93.35 -21.02 19.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.097 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.96 151.1 35.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.3 m -97.9 -51.27 4.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.858 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -78.2 105.74 9.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.945 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -111.75 124.64 52.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.83 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -116.0 111.59 20.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 12.3 tt -54.94 -26.27 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.161 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.91 -42.71 98.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.088 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.9 m -63.0 -30.63 71.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 63.3 t -70.15 -37.79 72.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.049 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.44 -48.72 66.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -61.73 -37.14 83.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -57.85 -34.81 70.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 32.2 m -97.46 14.43 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.156 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 41.7 m 51.54 36.47 17.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.7 tp -141.17 158.73 43.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.1 158.63 86.95 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.706 0.765 . . . . 0.0 110.851 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -39.6 6.3 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.703 2.269 . . . . 0.0 112.353 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 40.7 t -67.77 -46.84 70.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.7 tpp180 -68.76 -40.71 79.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 23.8 tp -68.79 -44.46 73.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.6 m -59.86 -39.25 84.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -59.65 -49.1 79.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.849 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 30.2 mt -72.02 -31.58 66.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.953 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -59.73 -50.39 74.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -68.5 -25.62 65.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 11.1 tp60 -78.16 -40.74 36.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 59.0 mm-40 -81.48 -39.45 24.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.46 -17.09 31.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.0 8.18 52.78 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.455 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 21.8 pt -149.29 173.35 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.819 0.342 . . . . 0.0 111.15 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.3 m -77.37 146.92 36.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 29.5 t -54.02 -43.69 59.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.11 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.95 -33.74 74.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 29.3 m -72.95 -44.56 61.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 65.2 t90 -58.72 -42.04 87.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.8 ttt85 -58.19 -47.22 84.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -66.15 -39.54 89.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -66.73 -35.02 79.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -67.35 -45.31 76.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -71.12 -43.34 67.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 24.4 mm -65.24 -42.19 93.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.104 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 30.7 t -70.54 -31.85 69.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.827 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 18.6 tp60 -70.71 -38.64 73.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.13 -45.89 72.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.088 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -71.84 -32.8 67.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.8 tt -58.13 -50.94 71.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.937 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.6 pp -70.47 -36.57 73.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.85 -28.89 58.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.951 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.5 t -71.93 -31.98 66.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.3 t -102.83 6.06 39.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.148 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 46.1 p -133.36 168.13 19.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.39 18.23 10.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 66.7 mtm -68.49 153.54 95.57 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.586 0.707 . . . . 0.0 110.862 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 166.19 28.48 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.668 2.245 . . . . 0.0 112.355 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 39.8 mt -62.19 -30.92 49.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.096 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.38 -47.22 80.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.073 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 96.7 m -65.76 -48.91 70.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.171 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.3 t -56.18 -40.51 65.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -59.07 -40.83 96.09 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.485 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -57.05 -34.14 67.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.847 0.356 . . . . 0.0 110.886 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -62.61 -31.69 72.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 33.7 m -99.77 18.74 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 73.12 5.17 65.15 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.459 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -82.59 116.88 22.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.83 0.348 . . . . 0.0 110.862 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -88.84 -31.64 18.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -93.1 119.24 32.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.895 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -61.15 -40.71 94.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.96 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 20.4 mt -66.6 -33.09 74.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.935 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -61.13 -42.59 98.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -65.59 -46.65 78.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.847 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.7 m -65.55 -37.44 86.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -62.68 -51.08 68.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 92.3 t -70.59 -45.49 74.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.149 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -61.32 -35.93 78.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 59.1 tttt -57.21 -47.99 79.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.3 mtpm? -76.16 -25.65 55.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 2.2 m -59.61 -50.01 75.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 48.7 p -104.0 -11.18 17.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.179 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.66 -9.03 68.81 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.485 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.85 148.45 45.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.787 0.327 . . . . 0.0 111.131 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.01 162.6 37.08 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.662 0.744 . . . . 0.0 110.838 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -32.03 19.47 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.718 2.279 . . . . 0.0 112.323 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.1 m -67.51 -34.17 76.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -74.62 -47.71 30.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -61.76 -45.47 93.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 62.0 ttp85 -63.99 -30.52 71.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -77.02 -35.49 56.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.055 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 86.91 11.93 69.44 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.55 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 7.1 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 0.0 110.867 -179.864 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.779 0.323 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -78.8 148.26 32.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.842 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 26.3 m120 -53.96 -45.34 71.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 48.8 mtm180 -66.25 -47.48 73.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 77.9 t -59.82 -39.34 79.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -34.81 78.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -62.29 -47.41 84.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.877 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.34 -35.94 74.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.177 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 89.4 m -59.9 -35.73 75.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 20.7 tp60 -62.23 -40.33 95.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -69.46 -45.89 67.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 60.3 mt -63.25 -35.98 74.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.09 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.2 p -66.34 -43.36 86.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.33 -30.09 69.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -95.75 17.91 14.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.4 tp -62.23 -25.44 67.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.56 -21.01 21.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -62.66 146.09 52.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.3 t -86.21 -50.81 6.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.856 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -81.38 108.28 14.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -110.23 117.68 34.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.938 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -116.03 116.42 27.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.9 tt -58.06 -24.53 24.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.5 -45.03 92.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.058 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 81.3 p -63.8 -29.51 70.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.839 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 99.1 t -65.61 -49.18 79.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.14 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.39 -34.99 78.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.078 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 56.0 tp60 -64.83 -37.23 86.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.931 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -60.95 -34.76 75.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 26.9 m -93.73 13.04 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.167 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 60.2 m 51.43 38.36 21.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.3 mt -140.99 164.2 30.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.7 m -71.76 157.72 89.15 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.65 0.738 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -39.42 6.47 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.668 2.245 . . . . 0.0 112.36 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.0 m -67.6 -46.77 71.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -65.7 -42.94 90.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.851 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.3 tp -68.82 -44.58 73.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 30.5 t -60.16 -39.11 85.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.833 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 16.3 t60 -59.48 -49.34 78.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.816 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 73.8 mt -72.2 -32.06 66.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -57.61 -49.84 75.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -68.1 -25.66 65.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.866 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -77.94 -40.35 39.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 70.5 mm-40 -81.46 -39.41 24.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.52 -17.1 31.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 67.84 8.86 54.77 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.472 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 19.9 pt -149.06 172.67 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.861 0.362 . . . . 0.0 111.113 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.5 p -77.36 147.87 35.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 42.5 t -53.95 -43.67 58.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.109 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.5 mp -61.71 -33.86 74.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 30.2 t -72.88 -44.85 60.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 48.3 t90 -58.88 -41.18 86.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 36.0 ttp180 -61.13 -47.18 87.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -65.94 -46.74 77.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.04 -37.58 85.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -66.15 -39.12 89.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.949 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.3 mtp85 -59.34 -43.0 92.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 49.9 mm -67.88 -44.14 85.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.158 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.1 t -67.01 -31.03 71.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.2 tp60 -71.04 -44.29 66.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.81 -36.34 69.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.094 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.0 mttp -61.81 -40.3 94.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 50.9 tp -62.62 -43.18 99.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.926 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 mt -70.12 -44.17 69.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.1 mt -67.44 -25.46 65.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 26.8 t -90.77 -26.5 19.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.7 t -94.57 -12.89 26.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.164 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.1 p -131.96 173.58 11.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.152 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.74 18.38 12.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 71.3 mtm -65.09 153.72 88.47 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.553 0.692 . . . . 0.0 110.887 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 163.69 37.37 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.677 2.252 . . . . 0.0 112.306 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 47.8 mt -58.69 -30.94 43.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.17 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.35 -47.23 80.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.087 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 93.0 m -71.48 -40.5 70.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.132 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 94.7 t -56.12 -40.68 65.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.118 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.86 -40.16 89.49 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.485 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 64.2 mtt180 -58.67 -34.35 71.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -61.56 -31.88 71.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 33.4 m -99.35 17.32 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.144 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 73.82 4.83 67.7 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.485 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -82.83 117.05 22.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.862 0.363 . . . . 0.0 110.889 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -82.62 -31.51 28.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -96.65 119.13 34.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.914 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -62.41 -40.77 97.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.901 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 80.2 mt -66.38 -32.92 74.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -63.26 -42.6 99.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -66.69 -48.04 70.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 65.1 p -65.47 -37.31 86.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 36.0 mmm-85 -63.16 -51.04 68.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 85.9 t -70.57 -46.06 71.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.091 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -61.24 -35.84 78.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.21 -30.81 64.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.95 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -76.64 -25.41 53.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 43.3 t -63.55 -50.53 69.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.857 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 27.5 p -99.55 -12.62 19.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.27 -9.84 69.61 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.48 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -138.45 152.64 48.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 0.0 111.094 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.9 163.57 21.87 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.649 0.738 . . . . 0.0 110.854 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -27.01 27.35 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.689 2.26 . . . . 0.0 112.389 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.1 p -67.48 -33.65 75.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.17 -47.99 32.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.891 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -59.59 -42.04 91.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 33.0 ttp85 -58.17 -33.67 69.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -67.16 -31.23 71.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.073 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 82.39 11.99 81.21 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.487 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 4.6 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 120.754 0.311 . . . . 0.0 110.864 -179.88 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.763 0.316 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -78.65 148.43 33.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -53.89 -39.38 65.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.03 -47.0 66.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 88.5 t -63.04 -38.8 83.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.23 -39.79 87.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -63.21 -37.62 87.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.7 -36.26 73.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.079 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 69.3 m -60.01 -34.27 73.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -60.93 -42.24 97.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -69.41 -44.67 70.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.3 mt -61.41 -37.38 77.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.118 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.7 p -63.36 -36.84 85.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.82 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -67.95 -18.61 64.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -110.92 17.99 19.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.79 -39.14 62.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.33 -20.94 43.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -62.11 154.34 27.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.1 m -101.1 -50.29 3.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -83.8 108.13 16.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -90.46 134.61 34.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -116.0 103.38 10.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.7 tp -61.79 -26.39 39.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.13 -44.85 96.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.9 m -64.92 -29.49 70.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.839 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.6 t -66.18 -51.88 54.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.139 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.73 -44.55 77.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.109 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -61.24 -36.04 78.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -56.72 -34.73 67.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 32.8 m -98.94 22.01 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 54.6 m 51.62 36.58 17.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -135.17 164.24 28.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.4 m -79.68 157.87 73.96 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.655 0.74 . . . . 0.0 110.859 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -38.56 7.6 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.702 2.268 . . . . 0.0 112.309 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.2 t -66.88 -46.9 73.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -70.33 -39.11 74.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.41 -44.46 71.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.2 t -59.84 -39.95 86.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.887 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -59.5 -48.91 79.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.821 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 77.8 mt -71.94 -31.74 66.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -59.2 -50.32 74.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 24.0 ttp180 -68.38 -25.73 65.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -78.03 -40.55 38.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -81.42 -39.48 24.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.39 -17.01 31.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.96 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.02 8.12 52.67 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.52 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 19.8 pt -149.13 172.73 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.804 0.335 . . . . 0.0 111.114 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.1 t -77.37 149.38 35.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.1 t -54.46 -44.8 69.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.128 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 75.9 mt -61.72 -32.22 72.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 47.3 t -72.76 -45.8 56.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 57.3 t90 -59.12 -40.54 85.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.8 ttt85 -60.69 -46.39 90.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -65.74 -46.7 77.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.84 -37.61 87.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -67.65 -34.61 77.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.3 mtp85 -57.52 -46.73 83.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.833 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.0 mp -70.94 -44.97 75.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.175 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.2 t -56.36 -38.35 71.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.0 tp60 -71.79 -43.09 66.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.93 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.5 -35.45 77.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -66.31 -33.02 74.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.8 tt -64.54 -52.41 57.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.2 pp -72.04 -37.47 69.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.886 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.96 -28.9 69.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.8 t -75.94 -21.86 56.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.2 t -108.99 0.22 19.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.153 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 33.3 p -131.67 146.39 52.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -104.67 18.32 22.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 47.9 mtm -63.5 158.56 57.73 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.539 0.685 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 152.43 69.41 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.669 2.246 . . . . 0.0 112.361 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 66.1 mt -51.74 -30.96 12.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.34 -47.01 80.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.057 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 86.0 m -67.32 -50.24 60.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.176 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.6 t -60.44 -41.01 85.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.86 -32.41 62.11 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.509 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -70.52 -32.12 69.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.822 0.344 . . . . 0.0 110.87 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -59.36 -31.16 68.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 11.9 m -94.29 1.0 10.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.87 0.14 66.61 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.431 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -90.25 117.0 28.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.862 0.363 . . . . 0.0 110.892 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -86.6 -31.45 21.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.843 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -86.3 118.98 26.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -62.45 -38.35 89.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -68.89 -34.73 75.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -60.16 -47.92 83.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -63.37 -42.33 98.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.869 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.8 p -65.4 -37.7 87.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 62.8 mtm180 -62.94 -50.61 70.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.832 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 88.9 t -70.29 -45.89 73.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.154 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 42.2 t80 -61.37 -36.09 79.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.31 -48.26 79.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 50.4 mttm -76.26 -25.66 55.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 4.5 m -59.37 -50.02 75.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 68.3 p -104.33 -10.97 17.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.148 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.69 -9.07 68.72 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.506 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.84 148.24 45.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.777 0.322 . . . . 0.0 111.105 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.97 162.56 37.11 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.675 0.75 . . . . 0.0 110.875 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -31.82 19.87 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.729 2.286 . . . . 0.0 112.336 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.5 m -67.53 -34.21 76.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -74.7 -47.71 30.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -59.84 -42.41 93.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 30.1 ttt180 -68.31 -33.07 73.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -77.19 -25.2 51.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 83.67 11.98 78.63 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.532 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 43.5 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.758 0.313 . . . . 0.0 110.919 -179.896 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.775 0.321 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -78.71 149.16 32.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -53.48 -27.29 24.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.3 mtp180 -68.4 -50.21 54.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 67.8 t -70.2 -38.57 75.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -54.78 -42.09 71.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.941 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -62.93 -47.14 84.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.64 -35.71 72.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.092 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 23.3 m -59.6 -36.8 76.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -64.72 -36.86 85.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -67.86 -41.4 82.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.7 mt -61.2 -36.64 74.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.116 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.4 t -57.65 -34.49 69.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -67.26 -34.54 77.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.917 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 -93.7 17.88 11.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.1 tp -60.7 -31.37 70.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -93.95 -20.98 19.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.103 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -63.59 144.53 56.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.1 m -86.4 -51.3 6.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.825 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 66.1 m-80 -87.16 100.72 12.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -88.06 136.49 32.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.07 95.25 5.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.1 tp -57.02 -23.74 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.159 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.68 -45.0 95.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.098 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.6 m -63.77 -29.37 70.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 76.5 t -65.66 -49.28 78.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.152 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.86 -41.9 82.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.072 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 51.4 tp60 -62.05 -37.16 83.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -57.93 -34.88 70.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 26.9 m -97.55 19.07 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.095 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 57.5 m 51.44 36.8 17.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 18.3 tp -136.41 164.18 28.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.9 m -78.18 159.3 75.74 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.65 0.738 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -39.13 6.81 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.68 2.254 . . . . 0.0 112.359 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 63.1 m -67.37 -46.62 72.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 -68.53 -40.99 80.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.847 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.3 tp -68.87 -44.34 73.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 86.6 p -59.91 -40.4 88.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.828 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 16.9 t60 -59.55 -48.76 80.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.831 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 72.7 mt -71.68 -31.5 66.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -59.12 -50.51 73.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -68.64 -25.48 64.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -77.92 -40.99 37.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.933 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -81.54 -39.39 24.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.3 -16.95 31.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 67.7 8.05 50.73 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.514 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 24.1 pt -149.66 173.48 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.83 0.347 . . . . 0.0 111.148 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.3 p -77.52 147.03 36.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.9 t -53.99 -44.04 60.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.126 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.6 mt -62.11 -34.25 75.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.8 t -72.86 -43.54 62.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 44.8 t90 -58.62 -40.35 83.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.6 ttm105 -61.01 -46.98 88.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 58.4 tt0 -65.89 -45.68 81.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.842 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -61.81 -39.78 92.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -68.34 -35.21 77.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.945 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -58.68 -44.98 90.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 37.7 mm -64.32 -39.88 87.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.8 t -56.81 -43.19 80.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 29.0 tp60 -71.17 -38.29 72.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.93 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.05 -46.12 89.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.084 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -71.23 -33.25 69.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.92 -50.13 57.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.92 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.5 pp -70.0 -37.66 75.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 11.0 mt -56.22 -29.03 60.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.5 m -73.26 -32.08 64.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.2 t -101.52 6.86 42.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.15 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 60.9 p -133.27 160.22 37.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.175 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.46 18.44 10.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.843 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 50.2 mtm -70.39 156.3 92.1 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.555 0.693 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 164.13 35.71 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.706 2.271 . . . . 0.0 112.343 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 63.7 mt -59.5 -30.89 45.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.105 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.47 -47.18 76.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.067 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 89.8 m -66.88 -50.14 63.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 64.7 t -56.32 -40.6 67.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.131 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.37 -32.53 60.76 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.487 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -70.82 -32.69 69.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.856 0.36 . . . . 0.0 110.911 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -60.23 -31.52 70.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 15.5 m -92.76 1.16 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.153 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 91.44 0.87 72.47 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.449 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -91.74 116.96 29.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.87 0.367 . . . . 0.0 110.905 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -82.42 -31.36 29.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.834 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -85.81 118.92 25.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -62.59 -37.28 85.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 60.2 mt -68.12 -33.0 73.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -60.02 -47.68 84.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -66.25 -37.42 85.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 71.9 m -65.59 -37.26 86.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 62.6 mtp180 -63.99 -50.56 68.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 65.8 t -70.26 -42.99 78.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -64.39 -36.28 83.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 42.3 tttp -58.13 -47.34 83.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 11.3 pttt -75.52 -24.99 56.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 49.2 t -55.78 -49.91 71.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.847 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 23.4 p -110.05 -9.19 14.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 96.06 -6.51 66.6 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.516 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.75 147.64 44.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.815 0.341 . . . . 0.0 111.118 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.11 162.25 41.03 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.678 0.752 . . . . 0.0 110.857 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -31.82 19.83 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.651 2.234 . . . . 0.0 112.293 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.8 p -67.42 -34.31 76.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -74.72 -47.59 30.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.867 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -58.53 -37.86 76.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -41.18 91.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.869 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -74.88 -27.57 60.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.093 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 86.13 11.95 71.81 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.674 -0.775 . . . . 0.0 112.498 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 8.3 t . . . . . 0 C--N 1.328 -0.362 0 CA-C-O 120.725 0.298 . . . . 0.0 110.882 -179.865 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.767 0.318 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -78.79 148.58 32.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 70.5 m-20 -53.77 -44.4 70.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 22.6 mtm180 -70.81 -41.13 71.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.2 t -63.01 -39.09 83.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.157 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -38.43 77.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.72 -38.51 90.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.51 -35.44 72.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.07 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 21.4 t -59.42 -34.25 72.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.885 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 28.3 mm100 -65.42 -43.35 90.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -69.57 -48.63 59.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.946 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 66.1 mt -62.27 -41.85 93.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.149 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.5 t -62.93 -41.48 99.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.61 -30.22 70.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.903 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -99.08 17.83 18.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 29.0 tp -57.59 -25.2 59.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.939 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.04 -21.0 47.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.077 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -69.5 152.6 44.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 45.3 t -96.06 -51.11 4.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -82.37 108.89 16.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -82.0 134.07 35.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -115.99 95.08 4.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.859 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.6 tt -61.95 -25.78 38.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.15 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.39 -42.93 87.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.077 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 50.1 m -66.92 -29.95 69.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 84.3 t -68.73 -47.54 75.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.156 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.41 -40.64 93.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 51.1 tp60 -62.12 -37.22 84.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.921 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -58.02 -34.82 70.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 34.4 m -97.43 18.92 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 2.3 t 51.49 36.71 17.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 17.3 tp -136.42 164.1 28.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.949 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.1 m -81.46 159.87 66.1 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.651 0.739 . . . . 0.0 110.858 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -35.66 12.11 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.642 2.228 . . . . 0.0 112.296 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.6 p -67.33 -46.36 73.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.4 tpp85 -71.77 -38.39 70.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.856 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.49 -45.1 69.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 91.3 p -60.6 -41.46 94.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.828 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -59.46 -48.2 82.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 78.9 mt -71.38 -31.29 67.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -59.82 -49.77 76.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.56 -26.26 65.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -78.23 -39.92 38.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -81.31 -39.64 24.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.957 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.77 -16.33 32.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 67.27 9.21 53.99 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.45 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 23.3 pt -149.56 170.76 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.835 0.35 . . . . 0.0 111.132 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.6 m -77.07 147.65 36.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.0 m -53.8 -41.21 47.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.173 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 56.1 mt -62.22 -35.69 79.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.0 t -73.03 -44.15 61.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 60.1 t90 -58.92 -43.58 91.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -61.29 -45.74 93.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -66.15 -43.32 87.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.07 -45.59 90.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -70.05 -34.84 73.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 56.0 mtt180 -57.81 -42.84 85.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 44.3 mm -72.28 -45.44 61.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.178 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.2 t -60.27 -39.21 86.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -71.91 -44.28 63.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.3 -46.41 88.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.095 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -67.93 -33.14 74.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.1 tt -61.44 -49.77 75.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.919 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 mt -70.11 -40.47 74.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.7 mt -63.47 -25.06 68.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.953 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 35.1 t -90.66 -27.53 18.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.886 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.3 t -94.45 -6.92 42.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.134 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 10.8 p -133.27 173.66 11.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 25.6 mmm-85 -119.09 18.32 13.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.827 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 71.9 mtm -66.59 157.0 84.7 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.576 0.703 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 161.83 44.43 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.66 2.24 . . . . 0.0 112.341 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 50.3 mm -63.13 -30.9 50.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.177 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.19 -47.19 77.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.5 m -65.4 -50.21 66.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.17 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 45.5 t -59.86 -40.72 83.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.5 -32.64 61.25 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.495 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 65.0 mtt180 -71.49 -32.58 68.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.844 0.354 . . . . 0.0 110.847 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -59.94 -31.8 70.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 15.7 m -91.78 0.52 9.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.116 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.71 0.72 66.43 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -91.8 117.16 29.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.853 0.359 . . . . 0.0 110.868 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -86.14 -31.5 21.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -90.81 118.58 30.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.8 -34.19 76.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.947 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 19.5 mt -68.96 -35.66 77.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -64.69 -48.48 74.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -66.61 -44.99 80.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.877 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.5 m -65.39 -37.48 87.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 26.3 mtt180 -62.97 -50.54 70.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 93.5 t -70.23 -45.99 73.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.114 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -61.47 -36.16 79.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.51 -41.95 81.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 33.1 mttm -75.77 -25.54 56.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 11.5 t -55.92 -49.9 72.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 30.8 p -108.98 -9.33 15.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.18 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.99 -7.26 67.22 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.465 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.62 147.65 45.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.803 0.335 . . . . 0.0 111.082 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.1 162.32 40.23 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.707 0.765 . . . . 0.0 110.856 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -31.67 20.12 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.654 2.236 . . . . 0.0 112.365 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 27.3 t -67.46 -34.32 76.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -74.74 -47.61 30.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -59.91 -46.29 89.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 18.7 tpt180 -59.22 -40.49 85.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.841 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.36 -30.88 71.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 91.29 -9.07 78.41 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.505 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 37.7 t . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 120.726 0.298 . . . . 0.0 110.872 -179.921 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.768 0.318 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -78.62 148.65 33.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.874 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -53.68 -43.66 69.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.07 -40.17 92.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.3 t -68.95 -38.48 78.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.165 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.5 -34.76 77.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.903 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -62.12 -37.9 86.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.77 -35.84 73.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.11 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 32.5 t -59.7 -34.19 72.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -63.22 -44.2 95.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -69.45 -48.49 60.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.939 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 53.0 mt -61.25 -42.02 91.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.086 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 85.9 p -57.3 -37.53 72.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -67.32 -27.05 66.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -103.7 17.98 22.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.4 tt -56.6 -27.92 59.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -93.92 -20.96 19.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -68.78 149.11 49.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.4 t -93.4 -51.41 4.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -72.23 105.63 4.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -110.15 127.23 54.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -115.96 108.41 16.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.0 tp -54.93 -26.11 16.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.162 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.98 -44.86 91.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.15 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 71.9 m -63.41 -29.35 70.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 69.9 t -66.37 -50.24 69.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.124 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.69 -35.26 78.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -63.59 -37.16 86.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -57.98 -34.91 70.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 32.7 m -95.82 15.04 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.161 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 64.4 m 51.32 36.82 17.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.5 tp -138.96 164.0 30.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.0 p -72.53 157.24 89.34 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.625 0.726 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -36.57 10.58 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.69 2.26 . . . . 0.0 112.354 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.3 p -65.75 -46.91 77.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.818 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.7 mmt85 -67.67 -44.89 76.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.5 tp -65.02 -45.16 86.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.951 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 39.1 m -60.16 -38.8 84.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 17.3 t60 -59.38 -49.45 77.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.3 mt -72.77 -31.41 64.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.42 ' O ' ' HB2' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -59.64 -50.7 72.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 55.2 ttt-85 -67.22 -26.32 66.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.5 tp-100 -78.69 -38.13 39.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -81.78 -40.56 22.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.42 ' HB2' ' O ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -89.26 -15.04 34.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.06 10.13 50.43 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.507 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 22.1 pt -148.19 170.34 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.842 0.353 . . . . 0.0 111.108 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.2 t -77.34 149.61 35.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 27.5 t -54.63 -45.5 72.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.075 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.5 mp -62.3 -30.16 70.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.85 -46.75 51.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 60.8 t90 -59.17 -40.46 85.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.947 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.21 -47.27 83.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -66.13 -44.13 85.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -62.96 -37.65 87.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -68.32 -37.48 80.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.2 mtp180 -61.43 -42.51 98.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 48.8 mm -69.47 -45.35 78.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.8 t -66.34 -31.08 71.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -69.04 -43.8 73.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.27 -45.54 92.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.099 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 32.3 mtpt -71.29 -33.1 69.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.1 tp -67.88 -50.09 58.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.4 pp -69.79 -37.51 76.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.969 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.6 mt -59.61 -28.79 67.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.7 m -72.3 -26.1 61.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.813 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.3 t -109.6 5.64 23.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.161 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 69.8 p -133.18 159.1 41.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.183 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.48 18.41 10.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 48.2 mtm -68.31 157.47 87.54 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.565 0.698 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 165.12 32.05 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.7 2.266 . . . . 0.0 112.347 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 56.9 mt -60.22 -30.89 46.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.162 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.72 -47.04 79.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.059 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 23.6 m -68.93 -50.26 50.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.103 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 90.7 t -56.72 -40.9 73.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.125 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.77 -32.51 61.94 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.48 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.9 tpp85 -71.53 -32.49 68.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.851 0.358 . . . . 0.0 110.87 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -60.19 -32.28 70.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.915 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 26.8 m -89.26 -1.67 9.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.106 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.1 25.63 16.4 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.441 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -123.8 116.68 23.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.854 0.359 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -82.49 -31.39 29.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -84.75 119.07 24.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.55 -40.59 97.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 34.6 mt -67.8 -33.26 74.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -62.1 -48.53 79.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -66.76 -42.66 85.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.3 p -65.44 -36.71 84.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 20.3 mtp85 -64.25 -50.91 66.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.865 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.1 p -70.39 -40.83 78.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.149 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -66.22 -36.43 83.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 57.7 tttt -57.88 -48.35 80.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.874 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -76.18 -25.66 55.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.894 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.7 m -57.75 -50.01 74.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 72.7 p -106.78 -9.74 16.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.8 -9.05 68.45 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.507 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.9 149.33 46.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.819 0.342 . . . . 0.0 111.08 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.07 162.4 39.38 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.612 0.72 . . . . 0.0 110.9 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -32.26 19.1 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.672 2.248 . . . . 0.0 112.371 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.7 t -67.49 -34.14 76.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -74.61 -47.7 30.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -61.6 -45.34 94.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 24.9 ptt180 -68.06 -32.43 72.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.822 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.97 -36.17 80.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.061 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 86.78 -9.15 72.8 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.5 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 31.3 p . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 120.783 0.325 . . . . 0.0 110.878 -179.886 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 ttt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.805 0.336 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -103.02 148.39 25.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.842 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -64.96 -29.34 70.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 85.3 mmt-85 -70.77 -49.68 44.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 30.0 m -69.47 -37.88 75.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.12 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 25.2 ttt-85 -54.95 -45.63 74.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -65.96 -41.61 91.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.77 -36.46 74.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.09 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 71.6 m -60.34 -35.61 76.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -64.51 -42.96 95.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -69.2 -48.34 62.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 78.1 mt -61.57 -44.73 99.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.116 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.8 t -57.55 -36.6 71.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.825 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -67.35 -24.18 65.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -93.69 17.98 10.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 tt -57.81 -38.26 75.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.948 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.76 -21.06 25.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.121 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -79.71 154.53 28.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.4 t -99.56 -41.29 7.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -60.79 102.94 0.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -118.23 110.46 17.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -116.05 105.32 12.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.836 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 7.3 tt -54.99 -27.38 19.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.114 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.73 -42.37 95.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.145 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.9 m -63.22 -33.26 75.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.2 t -70.03 -37.88 73.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.11 -48.72 67.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.06 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -61.56 -37.38 83.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -58.2 -34.8 70.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.803 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 34.6 m -97.64 16.85 2.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.12 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 84.8 m 51.63 38.4 22.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -140.75 162.93 34.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.1 m -81.79 160.43 63.89 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.691 0.758 . . . . 0.0 110.874 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -38.55 7.7 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.689 2.26 . . . . 0.0 112.347 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 74.3 m -64.41 -46.75 81.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.834 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 24.4 tpt180 -72.4 -44.88 61.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.0 tp -61.58 -44.4 97.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 95.7 p -60.09 -39.06 84.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -59.74 -48.66 80.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.844 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 68.4 mt -71.22 -31.88 68.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.83 -52.18 46.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.41 -27.21 64.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.904 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 11.3 tp-100 -78.02 -41.53 35.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.931 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -80.43 -39.07 28.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.9 mt -88.71 -16.37 32.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.04 10.81 53.12 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.465 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 28.5 pt -149.67 167.14 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.841 0.353 . . . . 0.0 111.134 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 t -77.45 158.96 29.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 15.8 m -54.02 -41.25 49.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.172 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.7 tp -62.41 -33.71 75.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.8 m -72.91 -48.11 39.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 76.9 t90 -65.57 -44.49 86.56 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.942 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -58.22 -47.58 83.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -66.17 -38.47 88.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -54.48 -36.27 63.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -70.36 -33.9 71.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 38.5 mtm180 -61.29 -47.18 87.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 50.4 mm -73.71 -43.15 54.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.106 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.7 t -62.01 -37.53 85.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 34.9 tp60 -71.41 -44.56 64.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.965 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.71 -45.71 77.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.079 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.2 ptmt -67.63 -32.84 73.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.8 tt -64.22 -52.26 59.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.3 pp -71.99 -37.63 69.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.917 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.7 tt -60.69 -29.0 69.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.1 t -75.0 -26.43 59.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.9 t -106.97 7.01 29.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.166 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 52.6 p -133.28 151.5 51.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.157 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 52.2 ttt-85 -109.76 18.42 20.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 27.3 mtm -68.24 158.49 84.25 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.596 0.713 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 152.99 69.12 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.7 2.267 . . . . 0.0 112.301 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 44.6 mm -55.87 -30.9 28.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.12 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.83 -47.24 72.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.088 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.4 m -70.81 -42.77 69.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 83.3 t -56.12 -40.28 63.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.117 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.67 -39.64 91.46 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.485 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 62.8 mtp180 -56.58 -32.84 65.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.82 0.343 . . . . 0.0 110.902 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -66.22 -21.87 66.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.6 m -112.3 14.14 8.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.154 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 79.32 -0.09 81.49 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.501 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 23.4 m-30 -86.5 116.87 24.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.918 0.39 . . . . 0.0 110.868 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -92.03 -31.47 15.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.847 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -89.55 118.54 29.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -62.92 -36.64 84.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.949 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 37.6 mt -68.0 -33.12 74.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.937 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -63.87 -48.54 76.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -66.71 -43.93 82.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.855 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 60.4 p -65.38 -38.59 90.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.1 mtp85 -61.87 -50.61 71.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.869 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 98.2 t -70.4 -45.2 75.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -61.48 -36.53 80.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.7 ttpt -57.7 -48.37 79.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 54.7 mttt -76.16 -25.51 55.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.8 t -57.33 -50.02 74.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.865 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 80.5 p -107.5 -9.77 15.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.173 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.89 -8.06 67.83 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.77 148.25 45.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.785 0.326 . . . . 0.0 111.127 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.99 162.47 38.1 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.676 0.75 . . . . 0.0 110.868 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -32.18 19.1 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.713 2.276 . . . . 0.0 112.35 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.1 t -67.56 -34.08 76.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -74.61 -47.72 30.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -59.46 -46.62 88.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -67.77 -30.71 70.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.838 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.88 -28.89 70.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.077 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 92.67 -9.16 76.17 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.439 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 3.5 t . . . . . 0 C--N 1.328 -0.355 0 CA-C-O 120.822 0.344 . . . . 0.0 110.865 -179.866 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 ttt . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.746 0.307 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -78.93 147.69 32.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -60.82 -45.11 95.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 23.6 mmt85 -59.33 -48.77 80.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 38.5 t -64.77 -38.59 83.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.11 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -67.92 -34.96 77.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -62.33 -37.91 87.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.71 -36.32 74.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.09 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.8 t -60.2 -34.22 73.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.929 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -62.75 -43.24 99.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.925 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -69.5 -47.71 62.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.933 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 71.8 mt -61.18 -37.81 78.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.147 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 51.8 p -60.62 -42.0 95.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -67.45 -35.64 79.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.832 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -94.18 17.96 11.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.1 tp -59.93 -28.48 67.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -93.87 -20.99 19.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -61.96 144.09 55.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.9 m -87.5 -51.44 5.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -81.1 98.94 8.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.86 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -102.63 129.95 49.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -116.24 120.5 39.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.906 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.8 tt -62.64 -28.36 44.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.15 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.01 -41.4 87.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.05 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 70.2 m -62.94 -30.63 71.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 55.5 t -66.68 -48.92 78.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.125 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.3 -41.57 85.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.119 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 50.3 tp60 -62.6 -37.13 85.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -58.04 -34.86 70.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.834 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 32.6 m -96.45 16.54 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 88.0 m 51.4 38.47 21.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.4 tp -140.94 163.71 32.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.2 m -72.12 159.75 84.57 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.687 0.756 . . . . 0.0 110.85 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -39.5 6.38 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.655 2.237 . . . . 0.0 112.306 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.1 m -67.7 -46.76 71.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.8 tpm_? -63.59 -44.85 92.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.838 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.7 tp -68.17 -44.64 75.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 27.5 t -60.41 -38.15 83.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 17.2 t60 -59.62 -49.2 78.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.858 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.4 mt -71.86 -32.47 67.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.436 ' O ' ' HB2' ' A' ' 45' ' ' LEU . 0.5 OUTLIER -61.45 -50.06 74.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.44 -26.56 67.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.839 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.5 tm0? -78.65 -40.94 32.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -80.27 -39.46 28.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.436 ' HB2' ' O ' ' A' ' 41' ' ' PHE . 4.1 mm? -88.73 -16.48 32.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 67.22 8.45 50.34 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.483 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 26.9 pt -149.97 173.58 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.844 0.354 . . . . 0.0 111.131 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.0 t -77.3 153.69 33.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 30.3 t -54.19 -41.83 53.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.116 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.4 tp -61.55 -35.4 77.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.6 m -72.91 -48.02 40.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 61.8 t90 -59.94 -40.56 89.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.948 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.9 ttm-85 -58.45 -46.38 86.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -65.79 -44.63 85.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -55.69 -41.85 74.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.836 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 -67.95 -37.6 81.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 16.4 mtp180 -58.41 -41.93 86.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 50.0 mm -65.7 -44.85 93.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.1 t -66.83 -36.02 81.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.7 -43.66 83.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.81 -38.7 72.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.085 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -61.03 -39.72 90.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.9 -44.07 97.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 mt -70.13 -44.46 68.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.7 mt -67.18 -25.53 66.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 57.8 m -90.77 -26.52 19.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.6 t -94.6 -12.7 26.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.142 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.2 p -131.96 173.47 11.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.112 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.75 18.39 13.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 77.9 mtm -65.76 155.49 86.11 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.618 0.723 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 166.51 27.35 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.742 2.294 . . . . 0.0 112.335 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 34.4 mm -62.88 -31.02 50.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.15 -47.37 74.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 95.1 m -67.31 -45.9 75.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 87.8 t -56.12 -40.29 63.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.098 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.3 -43.9 89.53 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.488 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.49 -33.7 68.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.835 0.35 . . . . 0.0 110.877 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -63.16 -31.97 73.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 34.0 m -98.67 17.8 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 75.16 3.26 68.99 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.515 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -82.29 117.14 22.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.909 0.385 . . . . 0.0 110.878 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -83.56 -31.55 26.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -97.5 118.94 35.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -62.64 -40.69 97.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.49 -32.58 74.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -59.84 -47.47 85.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -61.48 -46.47 89.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 92.1 p -65.58 -36.16 82.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 72.5 mtt180 -63.5 -51.73 64.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.871 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.6 p -70.89 -40.29 76.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.153 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -66.14 -36.01 81.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -57.16 -48.54 78.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 32.9 mtpt -76.08 -25.37 55.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 39.3 t -55.67 -49.94 71.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 70.8 p -109.54 -9.97 14.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.92 -5.83 66.56 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.483 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.69 148.63 45.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.783 0.325 . . . . 0.0 111.118 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.18 162.47 39.51 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.681 0.753 . . . . 0.0 110.821 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -33.57 16.31 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.664 2.243 . . . . 0.0 112.336 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.1 m -67.25 -33.92 76.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.854 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -74.13 -47.55 35.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -58.8 -43.21 90.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 65.1 ttp85 -66.46 -36.57 83.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.834 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.95 -33.29 75.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.075 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 87.44 -9.2 74.3 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.507 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 42.7 t . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 120.737 0.303 . . . . 0.0 110.926 -179.889 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 tpt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.745 0.307 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -78.91 144.59 34.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.85 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -60.1 -39.84 87.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -64.19 -46.18 85.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 80.7 t -57.48 -38.69 64.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -55.38 -45.57 76.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -64.75 -35.2 80.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.68 -36.3 73.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.111 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.8 t -60.24 -34.21 73.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -62.62 -47.07 85.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.921 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -69.49 -47.29 64.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 64.5 mt -61.32 -37.83 78.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.088 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.6 m -66.77 -44.67 80.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -66.54 -38.9 88.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -94.8 17.98 12.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.826 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.9 tp -62.48 -25.53 68.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.32 -21.03 21.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.081 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -62.59 138.63 58.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.816 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.5 m -79.67 -51.53 9.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.817 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -78.89 107.68 11.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -114.99 126.21 54.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -116.03 113.06 22.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.6 tp -55.08 -28.62 21.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.39 -42.38 95.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.085 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.0 m -62.99 -29.77 71.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.867 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 81.0 t -70.3 -39.23 76.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.152 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.2 -49.2 65.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -62.03 -36.88 82.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -57.71 -34.5 69.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.7 m -99.85 18.13 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.08 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 72.9 m 51.47 36.43 16.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.83 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -136.64 164.05 29.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.955 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.02 159.98 69.63 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.708 0.766 . . . . 0.0 110.859 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -39.3 6.59 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.707 2.272 . . . . 0.0 112.363 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.1 m -67.89 -43.84 78.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.47 -44.91 61.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.869 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.8 tp -63.39 -44.36 94.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.6 t -59.85 -38.56 82.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -59.7 -48.93 79.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 38.5 mt -71.48 -32.19 67.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.927 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.65 -52.07 49.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.0 ttp180 -70.45 -26.77 63.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? -78.14 -41.66 34.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 -80.7 -39.02 27.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.9 mt -88.66 -16.71 31.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.85 9.29 52.33 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.463 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 27.5 pt -149.96 171.25 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.837 0.351 . . . . 0.0 111.123 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 33.8 m -77.24 154.14 33.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.869 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 37.6 t -54.17 -43.57 60.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.135 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.4 mp -61.6 -36.22 80.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.4 t -72.93 -44.91 60.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 37.4 t90 -59.2 -40.87 87.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -58.29 -47.15 84.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.872 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -57.25 -46.71 82.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -54.92 -41.73 71.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -70.11 -41.23 74.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.944 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 20.5 mtp180 -58.25 -46.78 85.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 42.8 mm -71.46 -45.59 67.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.9 t -59.27 -38.93 81.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.871 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 31.7 tp60 -72.21 -44.61 62.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.76 -46.58 88.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -67.38 -33.14 74.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.933 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.1 tt -62.54 -49.01 77.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 mt -69.93 -41.25 74.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.5 mt -67.55 -25.27 65.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 58.2 m -90.42 -27.2 19.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 4.2 t -94.56 -12.51 27.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.155 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.4 p -133.32 173.8 11.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.159 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.74 18.35 15.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 77.5 mtm -62.36 155.57 66.14 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.602 0.715 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 162.52 41.7 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.724 2.282 . . . . 0.0 112.373 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 41.5 mt -63.0 -30.78 50.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.171 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.69 -47.27 78.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.13 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 96.9 m -65.12 -50.1 67.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.153 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 42.5 t -59.27 -39.69 79.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.104 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.68 -32.1 58.29 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.485 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 62.7 mtp180 -67.38 -33.52 75.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.807 0.337 . . . . 0.0 110.856 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -63.77 -31.51 72.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 16.2 m -92.95 8.45 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.088 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 78.73 4.67 88.17 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.542 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -95.9 116.6 29.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.833 0.349 . . . . 0.0 110.913 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -82.12 -31.48 30.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -85.38 118.7 25.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -62.57 -36.4 82.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 21.8 mt -68.9 -33.03 73.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.936 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -59.38 -48.44 81.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -66.73 -40.67 88.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.9 m -65.61 -37.86 87.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -62.73 -50.56 70.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 99.8 t -70.33 -46.07 72.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -61.36 -35.82 78.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 61.1 tttt -57.13 -47.89 80.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 38.6 mtpt -76.18 -25.77 55.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 16.5 m -60.41 -50.16 74.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 23.1 p -102.72 -11.61 18.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.162 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.61 -9.1 68.92 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.464 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.94 147.21 44.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.823 0.344 . . . . 0.0 111.076 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.77 162.55 35.66 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.594 0.712 . . . . 0.0 110.878 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -30.49 22.13 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.659 2.239 . . . . 0.0 112.321 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 29.9 t -67.52 -35.05 78.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.845 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.78 -47.71 29.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -61.0 -37.67 83.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.11 -42.32 94.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.39 -26.25 67.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.082 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 93.66 -9.18 73.91 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.526 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 2.0 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 120.815 0.34 . . . . 0.0 110.902 -179.881 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 ttt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.78 0.324 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.86 148.34 32.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -56.5 -45.53 80.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.09 -34.44 77.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.839 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 89.4 t -60.26 -38.45 77.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.101 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -66.8 -38.23 86.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -72.12 -34.13 68.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.85 -46.72 43.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.11 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 10.6 p -62.74 -31.28 72.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.83 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 68.2 tp60 -63.34 -37.03 85.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -69.55 -41.94 75.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 63.6 mt -61.18 -41.82 90.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.1 p -57.41 -34.16 68.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -67.26 -25.77 66.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -107.98 17.95 21.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.9 tp -54.85 -41.65 71.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.03 -21.05 31.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.093 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -81.47 131.98 35.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m -77.37 -27.74 52.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -73.9 94.6 2.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -118.11 117.87 30.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -116.04 111.57 20.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.7 tt -54.98 -26.28 17.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.36 -43.49 97.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.2 m -63.1 -31.09 72.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 20.4 t -67.3 -48.61 77.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.126 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.13 -41.25 86.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.121 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -63.0 -36.47 83.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -57.25 -33.06 67.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.2 m -100.91 18.28 3.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 66.1 m 51.2 40.87 27.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -140.96 164.36 30.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.21 160.01 78.93 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.618 0.723 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -36.56 10.67 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.707 2.272 . . . . 0.0 112.392 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 55.0 p -65.24 -44.76 87.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -67.57 -41.27 84.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.0 tp -66.11 -44.3 84.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 71.1 p -60.05 -37.17 79.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 18.8 t60 -59.7 -49.8 76.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.7 mt -72.2 -30.92 65.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -63.04 -51.78 65.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 34.1 ttt180 -70.29 -26.28 63.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.51 -42.55 35.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -80.52 -38.58 29.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.932 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.5 mt -88.4 -16.89 31.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.77 8.88 50.25 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.493 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 28.5 pt -150.18 171.33 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.798 0.332 . . . . 0.0 111.151 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.3 t -77.61 152.93 33.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.4 m -54.12 -40.26 45.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.18 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 39.0 mt -61.96 -36.05 80.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.4 m -72.99 -47.86 41.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 73.9 t90 -59.82 -47.25 86.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.924 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 33.2 ttp180 -58.3 -47.04 84.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.849 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -65.97 -44.62 84.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -54.68 -45.36 73.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -69.67 -34.94 74.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -59.22 -45.11 91.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 47.0 mm -59.24 -45.55 92.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.11 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.4 t -70.52 -31.38 68.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 50.0 tp60 -69.13 -38.93 79.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.887 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.01 -36.38 79.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.087 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.6 mtpm? -71.71 -32.35 67.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.6 -50.94 71.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.6 pp -70.43 -36.57 74.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.04 -28.81 70.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.957 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.9 t -68.63 -18.07 64.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.5 t -122.56 2.61 9.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.137 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 35.8 p -132.39 162.66 30.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.171 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.49 18.46 10.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 63.7 mtm -60.64 157.29 38.61 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.516 0.674 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 166.46 27.47 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.665 2.243 . . . . 0.0 112.324 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 51.1 mm -62.42 -30.97 50.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.139 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.65 -47.2 79.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.09 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 28.7 m -67.64 -50.08 59.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.151 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 69.5 t -57.95 -40.67 77.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.071 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.21 -32.48 60.23 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.512 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.94 -32.41 69.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.827 0.346 . . . . 0.0 110.897 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -59.92 -31.58 69.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 13.8 m -92.63 1.08 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 92.96 0.59 68.29 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.523 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -91.53 117.11 29.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.841 0.353 . . . . 0.0 110.854 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -84.59 -31.51 24.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.83 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -89.66 118.48 29.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -63.13 -39.28 94.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.7 mt -63.43 -38.13 89.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -63.68 -45.49 89.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -66.62 -45.85 77.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.855 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 11.9 t -65.52 -37.59 87.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 65.7 mtt-85 -62.94 -50.69 69.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 99.6 t -70.37 -45.72 73.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.116 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -61.48 -36.06 79.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 27.0 tttm -57.31 -44.59 84.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 23.1 mtmm -75.76 -25.56 56.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 2.9 t -56.2 -49.92 72.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 19.3 p -108.49 -9.7 15.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.117 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.97 -7.4 67.33 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.491 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.73 148.25 45.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.783 0.325 . . . . 0.0 111.09 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.14 162.45 39.35 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.658 0.742 . . . . 0.0 110.869 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -32.37 18.71 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.676 2.251 . . . . 0.0 112.383 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 30.0 t -67.46 -34.06 76.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -74.52 -47.64 31.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -60.32 -43.96 95.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -63.88 -40.59 96.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.888 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.78 -33.83 74.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.082 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 89.24 -9.09 78.24 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.465 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 5.5 t . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 120.743 0.306 . . . . 0.0 110.91 -179.928 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.718 0.294 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -78.48 148.99 33.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -53.47 -29.24 34.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 34.6 mtm180 -70.61 -49.07 51.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 99.5 t -69.38 -38.41 77.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.165 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.73 -34.36 62.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -71.66 -33.65 69.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.925 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.81 -46.92 56.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.102 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 13.8 p -65.68 -31.31 72.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 49.8 tp60 -64.33 -35.86 82.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -69.49 -37.29 77.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 31.8 mt -61.51 -36.89 76.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.12 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.3 p -58.62 -36.4 74.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.822 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -67.44 -27.11 66.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 34.0 m-70 -101.84 17.87 21.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.0 tt -60.9 -29.44 69.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.949 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -93.37 -20.91 19.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.079 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.82 131.22 46.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 39.3 m -73.44 -51.47 17.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -85.96 94.28 9.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -98.51 132.13 44.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -116.06 123.31 47.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.3 tt -68.95 -22.54 26.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.159 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.47 -42.96 99.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 21.1 m -62.81 -29.5 70.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.797 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.8 t -66.57 -50.07 69.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.122 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.5 -43.74 80.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.085 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -61.99 -36.55 81.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.934 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -57.53 -34.67 69.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 16.0 m -98.83 19.0 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 2.8 t 51.4 37.78 20.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.4 mt -137.38 163.38 31.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.946 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.6 m -76.68 159.08 79.99 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.636 0.731 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -39.3 6.56 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.673 2.248 . . . . 0.0 112.377 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 83.3 p -67.58 -46.83 71.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.15 -41.45 86.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.843 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.1 tp -69.22 -44.47 71.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.923 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.3 t -59.8 -40.29 87.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 18.8 t60 -59.52 -48.74 80.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.94 -31.57 66.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -59.3 -50.38 74.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 49.8 ttt180 -68.44 -25.61 65.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 -77.95 -41.0 37.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -81.31 -39.4 25.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.33 -16.91 31.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 67.76 8.25 51.88 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.462 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 24.0 pt -149.6 172.95 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.901 0.382 . . . . 0.0 111.099 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.8 m -77.24 147.57 36.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 30.3 t -54.04 -45.03 64.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.116 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.8 mp -62.0 -33.35 74.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.8 t -73.01 -43.83 61.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 60.4 t90 -58.68 -40.9 84.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.8 tpm_? -61.36 -46.59 89.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 55.8 tt0 -62.66 -46.64 87.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -57.85 -41.58 82.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 -69.94 -38.2 76.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.964 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 31.5 mtp180 -58.29 -41.11 83.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 51.2 mm -71.42 -45.48 68.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.9 t -62.76 -37.63 87.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -71.81 -44.25 64.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.16 -46.48 82.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.086 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.08 -33.14 73.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.76 -49.53 77.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.92 -39.02 76.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.65 -25.29 66.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.1 t -90.55 -26.71 19.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.0 t -94.57 -11.44 29.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.158 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.8 p -133.09 173.66 11.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.169 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 -119.8 18.65 12.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.857 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 72.8 mtm -60.54 156.71 41.31 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.552 0.692 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 165.68 30.19 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.632 2.221 . . . . 0.0 112.352 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 33.6 mm -63.77 -31.0 51.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.86 -47.34 72.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.093 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 99.4 m -67.25 -46.59 73.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 94.3 t -56.13 -40.9 67.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -58.41 -42.52 95.78 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.514 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 45.3 mtp85 -57.84 -34.34 69.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.811 0.339 . . . . 0.0 110.877 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -61.07 -31.71 71.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 33.5 m -100.3 17.54 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 74.16 4.56 68.58 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.488 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -82.75 117.12 22.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.848 0.356 . . . . 0.0 110.923 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -83.25 -31.52 26.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -94.46 119.02 32.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -62.41 -41.06 98.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -69.2 -34.32 74.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -60.14 -41.51 92.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -66.74 -45.43 78.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 62.9 p -65.52 -38.28 89.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 29.2 mtt-85 -62.98 -50.49 70.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.93 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 85.9 t -70.21 -45.64 74.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.106 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -61.23 -37.14 81.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -25.79 67.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.957 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 40.4 mttt -78.33 -25.26 46.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.48 -41.41 18.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.1 p -94.03 -15.73 24.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.16 -9.82 68.37 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.477 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -138.89 152.99 48.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.828 0.347 . . . . 0.0 111.099 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.79 162.95 32.17 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.672 0.749 . . . . 0.0 110.862 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -32.27 19.0 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.622 2.215 . . . . 0.0 112.368 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.7 t -67.79 -34.08 76.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.856 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -74.82 -47.98 27.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -59.76 -44.48 93.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 57.6 ttt-85 -59.35 -42.08 90.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.902 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -67.14 -28.53 68.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.074 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 88.25 -9.15 76.25 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.464 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 13.9 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 120.777 0.323 . . . . 0.0 110.864 -179.884 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.2 tpt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.763 0.316 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -78.79 145.62 34.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -64.84 -31.88 73.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -55.71 -50.07 71.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 68.0 t -70.09 -38.48 75.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -54.8 -35.67 64.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -67.63 -40.6 84.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.66 -36.28 73.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.099 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.3 t -60.16 -34.07 73.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 60.0 tp60 -61.99 -43.18 99.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -69.39 -48.47 61.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 61.6 mt -61.82 -40.44 86.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.155 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.7 t -57.35 -39.5 76.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -67.45 -26.67 66.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.906 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -108.6 18.02 21.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.7 tp -56.64 -26.17 55.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.949 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.39 -21.02 21.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -61.99 149.33 41.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.7 m -90.83 -50.94 5.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.828 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -82.19 106.51 14.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -104.77 134.08 48.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.08 118.43 32.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.3 tp -69.15 -29.86 44.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.17 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.46 -42.94 97.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.079 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.8 m -62.99 -29.79 71.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 48.1 t -70.42 -38.66 74.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.166 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.38 -49.06 65.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -61.38 -36.92 81.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -57.64 -34.93 69.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.835 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 32.6 m -97.68 16.22 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.171 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 4.6 t 51.54 36.81 17.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.2 tp -140.69 163.48 32.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.9 m -74.59 160.29 81.41 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.653 0.739 . . . . 0.0 110.854 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -39.04 6.93 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.664 2.242 . . . . 0.0 112.354 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.1 m -66.52 -46.74 75.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.4 mtm180 -66.38 -44.38 83.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.864 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 27.2 tp -66.64 -43.98 83.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 24.3 m -59.82 -38.65 82.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.831 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -59.76 -48.99 79.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 42.9 mt -71.65 -31.87 67.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.444 ' O ' ' HB2' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -63.39 -50.37 70.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.47 -27.05 66.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -79.27 -39.44 32.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 35.9 mm-40 -80.76 -40.26 25.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.444 ' HB2' ' O ' ' A' ' 41' ' ' PHE . 4.0 mm? -89.14 -16.77 30.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.945 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 69.46 5.95 52.19 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.458 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 25.0 pt -149.78 175.85 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.886 0.374 . . . . 0.0 111.13 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 83.3 p -77.17 148.72 35.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 29.9 t -54.06 -38.89 39.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.096 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.2 tp -61.15 -41.12 96.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.967 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.2 t -73.01 -42.04 63.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 66.1 t90 -59.51 -40.58 87.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.1 ttp180 -58.32 -46.68 85.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -65.87 -44.09 86.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.39 -37.78 88.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.89 -40.98 90.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 12.9 mtp180 -58.15 -46.78 85.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 47.0 mm -62.08 -45.45 98.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.099 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.4 t -61.78 -37.26 83.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -71.41 -38.19 71.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.73 -36.27 69.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.123 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -70.2 -41.09 74.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.67 -48.68 80.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.55 -39.48 81.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.947 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 11.2 mt -67.93 -25.26 65.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.3 t -90.51 -26.74 19.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.8 t -94.63 -12.64 27.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.152 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.7 p -133.04 173.71 11.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.8 18.45 12.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 73.2 mtm -61.75 156.04 57.7 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.529 0.68 . . . . 0.0 110.91 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 166.4 27.7 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.669 2.246 . . . . 0.0 112.326 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 37.9 mt -63.0 -30.88 50.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.179 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.43 -47.29 76.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 81.3 m -64.58 -50.2 68.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.191 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 48.3 t -59.68 -39.93 80.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.188 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.69 -32.17 58.39 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.426 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 67.7 mtp180 -70.42 -33.69 71.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.831 0.348 . . . . 0.0 110.862 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 48.6 m-20 -63.37 -31.64 72.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 15.9 m -90.77 13.05 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 73.53 28.49 65.45 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.492 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -122.95 116.82 24.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.81 0.338 . . . . 0.0 110.884 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -83.27 -31.55 26.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.911 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -84.11 118.06 23.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -63.51 -40.73 97.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.4 mp -67.68 -37.44 82.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.958 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -60.09 -48.6 81.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.948 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -60.92 -45.53 94.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.4 p -65.77 -36.4 83.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 46.2 mtt-85 -64.15 -51.32 64.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.3 p -70.47 -40.68 77.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.14 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -66.22 -36.16 82.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.36 -41.52 80.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.6 mtpp -75.81 -25.54 56.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 26.0 t -56.14 -49.89 72.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 30.8 p -108.74 -9.54 15.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.101 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.96 -7.04 67.2 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.71 147.13 44.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.82 0.343 . . . . 0.0 111.091 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.94 162.41 38.2 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.686 0.755 . . . . 0.0 110.853 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -31.86 19.7 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.633 2.222 . . . . 0.0 112.347 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 13.8 t -67.27 -34.47 77.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -74.65 -47.59 31.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -59.66 -44.45 93.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 12.8 ttt-85 -61.33 -35.58 77.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.46 -30.41 70.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.092 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 86.99 -9.14 73.54 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.437 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 16.5 m . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 120.786 0.327 . . . . 0.0 110.863 -179.886 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.1 tpp . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.765 0.317 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -78.64 146.37 34.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.859 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.38 -45.58 93.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.2 mtt85 -55.82 -48.89 74.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 46.1 t -69.19 -38.18 77.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.105 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -54.58 -34.57 62.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.79 -33.37 68.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.43 -46.7 46.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.104 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 12.3 p -63.91 -31.41 72.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.845 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.5 tp-100 -61.7 -35.78 79.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -64.7 -35.72 81.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 69.9 mt -64.82 -35.74 75.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.136 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.9 p -58.96 -43.52 91.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -60.62 -27.01 67.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.885 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 32.2 m-70 -106.81 17.96 22.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.4 tp -57.41 -26.16 60.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -92.53 -20.96 20.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.125 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -62.89 152.56 36.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.2 p -94.39 -47.68 6.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -87.01 101.29 13.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -102.39 133.17 47.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -116.0 123.38 47.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.4 tt -69.06 -28.64 40.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.179 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.34 -40.34 90.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.121 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.7 m -62.86 -29.27 70.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.2 t -70.8 -47.54 62.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.148 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.7 -49.46 62.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -60.99 -35.33 76.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.919 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -57.36 -34.64 69.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 19.5 m -100.77 21.25 2.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.114 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 61.3 m 51.47 41.23 28.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.3 mt -140.63 163.9 31.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 m -80.05 158.97 71.77 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.623 0.725 . . . . 0.0 110.876 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -38.72 7.45 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.716 2.277 . . . . 0.0 112.354 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 p -66.97 -46.84 73.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.9 mmt180 -70.01 -39.94 75.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.4 tp -68.74 -44.33 74.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.5 t -59.61 -40.33 87.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 20.5 t60 -59.27 -48.79 80.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.88 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.9 mt -72.03 -31.08 65.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -61.29 -51.16 70.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.6 ttp180 -68.6 -26.19 65.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -78.25 -38.88 41.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 37.1 mm-40 -81.99 -40.28 22.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.934 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.96 -15.0 35.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.16 9.51 48.55 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.518 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 25.1 pt -149.51 172.06 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.839 0.352 . . . . 0.0 111.117 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 14.8 m -77.11 145.9 37.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 59.9 t -53.71 -44.24 58.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.4 mp -62.11 -32.96 73.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.947 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.6 m -72.96 -45.06 60.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 59.5 t90 -58.55 -40.5 83.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 29.3 ttt85 -60.48 -47.15 87.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.853 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -65.99 -46.67 77.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -55.88 -37.65 69.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -66.0 -38.84 89.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.5 mtp180 -58.17 -46.94 84.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 44.7 mm -73.05 -39.76 57.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.1 t -60.6 -40.92 93.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.5 tm0? -71.49 -38.24 71.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.89 -36.33 82.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.074 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.1 mttm -71.41 -33.03 69.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.5 tt -67.87 -50.03 58.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.927 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.4 pp -69.44 -37.67 77.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.4 mt -64.92 -28.73 69.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.7 m -70.41 -16.18 62.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.2 t -122.68 1.55 9.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.127 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 33.6 p -133.34 161.74 33.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.48 18.28 10.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 54.9 mtm -63.6 156.82 69.58 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.544 0.687 . . . . 0.0 110.885 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 155.0 67.34 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.709 2.273 . . . . 0.0 112.353 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 57.9 mt -51.82 -30.87 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.68 -47.19 70.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.103 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 99.3 m -66.3 -40.43 89.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.156 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 97.8 t -67.78 -43.43 86.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.142 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.67 -43.52 91.43 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.454 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 20.2 mtt-85 -57.69 -34.91 69.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.817 0.341 . . . . 0.0 110.895 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -69.13 -15.52 63.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -108.14 -1.85 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.9 27.89 11.87 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.484 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -105.72 117.21 33.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.846 0.355 . . . . 0.0 110.829 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -79.42 -31.52 42.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -111.3 118.45 35.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -63.03 -32.4 73.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.932 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.18 -38.07 87.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -59.09 -48.88 79.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -53.55 -35.05 60.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.7 p -66.17 -37.5 85.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -62.87 -51.05 68.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.833 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 92.8 t -70.38 -45.59 74.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.092 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -61.48 -36.17 79.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 36.3 tttt -57.92 -48.36 80.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.2 pttp -76.01 -24.71 55.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 13.5 t -55.31 -50.25 70.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 77.1 p -111.56 -8.96 14.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.97 -6.91 67.08 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.516 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.66 154.99 49.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.835 0.35 . . . . 0.0 111.095 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.66 162.9 31.66 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.682 0.753 . . . . 0.0 110.843 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -29.39 24.26 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.714 2.276 . . . . 0.0 112.35 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 37.5 p -67.45 -33.75 75.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.826 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.33 -47.86 46.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -62.06 -43.72 98.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 22.3 tpt85 -59.24 -32.75 70.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.03 -32.89 74.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 89.24 -9.12 78.15 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.482 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 6.4 t . . . . . 0 C--N 1.328 -0.35 0 CA-C-O 120.777 0.322 . . . . 0.0 110.859 -179.866 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.806 0.336 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -78.96 148.31 32.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.849 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -55.41 -43.22 75.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 42.0 mtt85 -62.04 -45.19 94.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 95.6 t -67.3 -39.01 81.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -55.05 -34.76 63.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -64.42 -36.61 84.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.55 -39.83 94.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 33.8 t -60.38 -34.96 74.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -63.66 -43.79 95.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -69.46 -46.34 66.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.9 mt -61.11 -36.53 73.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.151 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.7 p -58.51 -44.89 89.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.845 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -67.32 -31.59 71.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -94.05 17.83 11.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.2 tp -65.59 -26.99 68.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -93.37 -20.92 19.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.077 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -61.94 135.16 57.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.5 m -77.03 -51.27 11.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 48.8 m-20 -87.79 94.22 9.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -80.26 136.94 36.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -115.94 97.65 6.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 7.4 tp -57.83 -29.29 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.64 98.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.2 m -63.0 -36.45 83.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 39.3 t -63.49 -46.05 96.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.126 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.35 -45.4 76.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -61.38 -37.07 82.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.856 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -58.09 -34.77 70.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.3 m -98.68 20.05 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 3.7 t 51.3 36.73 16.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -135.78 164.17 28.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.0 159.99 61.54 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.686 0.755 . . . . 0.0 110.847 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -39.07 7.0 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.677 2.252 . . . . 0.0 112.384 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.9 t -67.33 -43.75 80.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.0 -44.2 63.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.1 tp -60.73 -44.64 96.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.4 t -60.08 -39.88 87.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 16.7 t60 -59.7 -48.72 80.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.895 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 67.2 mt -70.82 -32.1 69.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.949 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -64.14 -35.02 79.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.71 -46.81 86.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -79.95 -32.94 39.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 58.7 mm-40 -70.13 -40.56 74.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -100.76 -9.63 21.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 73.21 0.79 54.66 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.471 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 32.4 pt -150.14 177.77 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.858 0.361 . . . . 0.0 111.11 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.94 144.46 41.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.0 p -53.36 -35.51 24.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.169 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 74.1 mt -62.69 -44.47 96.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.92 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.6 t -73.12 -39.3 65.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 79.0 t90 -58.41 -40.0 81.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.19 -45.62 87.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.913 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -65.89 -42.23 90.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -57.79 -43.38 85.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 51.5 mm-40 -66.02 -34.73 78.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 31.5 mtt180 -62.07 -46.75 87.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 41.6 mm -66.13 -45.26 90.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.143 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.5 t -63.48 -37.5 87.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 49.5 tp60 -71.33 -38.74 71.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.56 -37.65 70.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.139 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 46.9 mttt -62.99 -39.78 95.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.1 tt -63.77 -45.17 90.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.2 mt -69.97 -44.18 69.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.938 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.8 mt -67.09 -25.36 66.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 57.7 m -90.8 -26.67 19.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.6 t -94.55 -12.23 27.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.144 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.9 p -132.94 173.55 11.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.158 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.54 18.32 12.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 72.1 mtm -64.16 155.78 77.71 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.601 0.715 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 166.44 27.59 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.709 2.272 . . . . 0.0 112.35 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 40.4 mt -62.25 -30.73 49.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.129 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.5 -47.26 76.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 60.8 m -65.66 -50.22 65.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.17 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 45.0 t -57.38 -39.96 71.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.159 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.65 -32.07 58.19 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.488 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 24.2 mmm-85 -70.61 -33.6 71.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.865 0.364 . . . . 0.0 110.908 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -63.34 -31.85 73.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 16.0 m -90.27 11.94 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 74.82 28.39 62.96 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.478 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -123.09 116.9 24.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.868 0.366 . . . . 0.0 110.848 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -79.85 -31.38 40.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -88.78 118.61 28.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -62.79 -40.66 98.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.933 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.41 -32.97 74.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.952 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -59.89 -48.04 83.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -66.8 -39.82 87.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.849 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 49.7 m -65.38 -36.6 84.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.3 mmm-85 -63.94 -51.19 65.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.844 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.1 p -70.6 -40.56 77.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -66.35 -35.84 81.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 53.4 tttt -57.73 -46.27 84.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.1 pttp -75.69 -24.55 56.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 23.2 t -55.35 -50.01 70.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 28.9 p -111.61 -8.59 14.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 96.21 -7.51 66.77 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.545 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.73 153.89 49.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.726 0.298 . . . . 0.0 111.111 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.29 163.13 27.15 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.639 0.733 . . . . 0.0 110.889 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -29.82 23.34 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.656 2.238 . . . . 0.0 112.338 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.3 p -67.45 -33.75 75.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.89 -47.89 49.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -58.47 -37.62 75.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -68.17 -34.32 76.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.06 -33.82 76.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.114 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 86.39 11.95 71.0 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.498 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.328 -0.361 0 CA-C-O 120.773 0.32 . . . . 0.0 110.908 -179.917 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.742 0.306 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -82.53 148.49 28.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -56.89 -45.67 82.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.87 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.2 ttm-85 -60.26 -45.67 92.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.927 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.4 t -66.83 -38.46 81.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.75 -34.7 62.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -72.39 -33.22 67.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.16 -47.58 56.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.058 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 15.0 p -65.84 -31.64 72.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -63.68 -41.68 98.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.959 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -69.72 -44.11 70.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.933 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 51.0 mt -62.31 -38.33 80.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.099 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.3 t -62.47 -44.36 96.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -60.23 -37.88 81.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -96.86 17.93 15.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 31.7 tp -56.63 -26.24 55.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.0 -21.0 31.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -64.95 153.37 40.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.5 m -94.36 -51.01 4.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.824 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -81.17 107.9 14.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -110.71 132.42 54.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -116.05 103.93 11.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.879 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 7.3 tp -57.08 -30.14 33.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.116 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.41 -42.18 98.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.087 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 70.7 m -62.98 -34.96 78.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 91.8 t -67.2 -44.41 87.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.133 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.97 -43.8 82.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -62.11 -37.22 84.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -57.98 -34.78 70.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 32.6 m -97.0 17.06 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 4.6 t 51.48 38.82 23.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.94 163.86 31.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.931 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.63 160.28 59.2 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.745 0.784 . . . . 0.0 110.82 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -36.22 11.21 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.693 2.262 . . . . 0.0 112.318 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.0 t -67.14 -46.77 73.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.824 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.4 -44.85 61.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.7 tp -59.87 -44.26 94.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.7 t -59.68 -37.35 78.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.851 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -59.82 -50.25 74.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.833 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.7 mt -72.38 -32.32 66.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -57.61 -48.75 78.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.422 ' HA ' ' O ' ' A' ' 47' ' ' ILE . 0.4 OUTLIER -68.44 -25.32 64.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.3 tm0? -78.46 -40.48 35.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.9 mm-40 -82.03 -39.64 23.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.33 -17.88 29.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 69.94 6.13 55.13 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.493 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.422 ' O ' ' HA ' ' A' ' 42' ' ' ARG . 18.8 pt -147.23 174.42 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.847 0.356 . . . . 0.0 111.12 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.0 p -75.91 140.84 42.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.8 p -52.76 -43.39 44.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.105 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 83.1 mt -63.78 -32.65 74.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 27.4 t -73.09 -43.7 61.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 74.7 t90 -57.05 -40.51 76.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.975 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.7 ttp180 -58.33 -47.04 85.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.817 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -66.35 -38.18 87.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -66.63 -37.04 84.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -66.65 -45.0 80.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 19.4 ptt180 -70.99 -42.38 69.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.851 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 23.3 mm -66.96 -40.61 86.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.0 t -70.29 -33.48 71.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -71.5 -39.14 71.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.15 -46.85 82.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -71.68 -33.24 68.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -67.99 -50.03 58.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.7 pp -70.03 -37.81 75.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.3 mt -55.09 -29.07 56.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.6 t -74.17 -34.02 63.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.7 t -98.74 7.8 45.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.166 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 43.4 p -133.19 162.09 32.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.187 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.44 18.4 10.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 78.2 mtm -70.44 155.36 93.54 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.582 0.706 . . . . 0.0 110.85 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 153.04 69.31 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.618 2.212 . . . . 0.0 112.342 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 70.5 mt -52.47 -30.86 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.092 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.46 -47.2 73.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 99.1 m -67.59 -45.11 76.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.137 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 42.0 t -56.2 -40.54 65.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.122 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.45 -42.89 94.08 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.475 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 66.6 mtt180 -57.43 -34.1 68.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.806 0.336 . . . . 0.0 110.845 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -61.31 -31.72 71.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 33.8 m -100.27 17.85 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.151 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 75.82 2.52 70.81 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.446 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -82.4 117.14 22.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.865 0.364 . . . . 0.0 110.833 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -87.21 -31.55 20.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.92 119.07 31.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -62.49 -41.01 98.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 31.9 mt -69.07 -33.86 74.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -60.86 -40.59 93.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -66.66 -48.16 70.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 28.3 t -65.48 -37.26 86.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 43.5 mmm-85 -62.5 -51.4 67.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.824 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 89.7 t -70.84 -45.48 73.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.095 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -61.26 -35.47 77.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 63.6 tttt -56.83 -49.24 76.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 30.0 mttm -77.35 -25.71 51.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.97 -50.04 75.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.9 t -104.94 -12.1 16.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.81 -8.47 68.2 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.521 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.76 153.78 49.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.764 0.316 . . . . 0.0 111.122 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.417 ' CB ' ' HD2' ' A' ' 99' ' ' PRO . 0.6 OUTLIER -69.23 166.37 29.94 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.728 0.775 . . . . 0.0 110.826 -179.789 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.417 ' HD2' ' CB ' ' A' ' 98' ' ' SER . 53.6 Cg_endo -69.78 -36.78 10.13 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.728 2.286 . . . . 0.0 112.306 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 67.9 m -68.61 -32.73 72.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.831 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -66.85 -48.23 69.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.941 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -58.01 -46.37 85.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 -71.9 -30.58 65.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.15 -27.13 68.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 82.42 12.0 81.15 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.522 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 9.2 t . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 120.775 0.321 . . . . 0.0 110.875 -179.892 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.1 ttt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.728 0.299 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.31 147.64 25.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.837 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 31.7 m120 -65.11 -28.71 69.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 33.0 mtt-85 -70.96 -49.43 45.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.817 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 31.1 m -69.16 -37.3 76.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.137 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.4 ttt-85 -54.11 -37.53 64.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -72.39 -32.98 66.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.858 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.92 -47.25 39.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.153 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 12.8 p -62.18 -31.2 71.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 28.7 tp60 -68.52 -35.5 77.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.939 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -69.36 -43.79 72.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.975 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.6 mt -61.21 -36.06 70.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.14 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.9 t -57.14 -38.53 73.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -67.31 -33.84 76.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -99.09 17.96 18.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.892 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.9 tp -55.61 -26.24 43.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.947 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.12 -20.92 21.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.073 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -62.07 139.54 58.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.5 p -81.78 -51.61 7.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -85.27 107.28 17.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.867 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -111.69 132.95 54.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -116.09 113.78 23.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.2 tt -64.13 -28.85 45.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.152 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.49 -44.96 92.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.072 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.5 m -62.97 -29.54 70.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.843 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 88.0 t -68.72 -39.12 79.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.119 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.18 -42.52 84.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.11 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -63.34 -37.16 86.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -58.02 -34.88 70.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.853 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.0 m -96.69 14.77 3.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.14 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 60.3 m 51.46 38.18 21.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 mt -140.99 162.37 35.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.1 m -80.31 160.11 68.61 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.639 0.733 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -35.58 12.45 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.65 2.233 . . . . 0.0 112.381 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.6 m -67.0 -47.14 72.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 -72.75 -38.18 67.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 25.1 tp -69.41 -39.27 78.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 84.3 p -59.23 -39.97 84.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -59.51 -48.81 80.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.832 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.0 mt -71.21 -31.2 67.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.942 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -67.81 -50.98 53.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.1 mtp180 -70.96 -27.58 63.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.859 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 20.4 tp60 -79.86 -39.96 29.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 74.7 mm-40 -80.9 -40.64 24.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.6 mt -89.44 -18.72 26.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 78.75 -2.71 67.11 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.502 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -149.41 168.94 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.814 0.34 . . . . 0.0 111.139 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.5 m -76.54 155.5 33.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.843 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 35.2 t -53.59 -39.33 37.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -54.65 -44.22 73.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.8 m -73.14 -43.76 61.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -59.15 -40.55 85.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.951 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -60.17 -47.22 86.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.05 -38.28 87.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -67.06 -36.88 83.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 35.6 mm-40 -66.72 -45.08 79.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.7 ptt180 -70.26 -41.17 73.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 26.3 mm -70.4 -32.41 50.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.126 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.5 t -66.83 -39.4 87.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.837 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 39.1 tp60 -67.27 -40.6 86.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.09 -46.11 82.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp -71.38 -32.99 69.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.1 tt -67.22 -50.08 62.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.934 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.4 pp -69.92 -37.68 76.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 14.9 mt -64.79 -28.81 69.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 28.7 t -71.04 -17.31 62.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.0 t -120.48 2.03 10.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.114 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 35.5 p -133.23 161.66 33.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.156 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.49 18.42 10.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 59.6 mtm -62.54 156.28 63.85 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.626 0.727 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 166.46 27.56 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.695 2.264 . . . . 0.0 112.334 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 37.3 mm -61.51 -30.84 49.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.69 -47.23 76.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.3 m -69.07 -47.26 65.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.123 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 86.2 t -56.18 -40.76 66.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.156 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.73 -41.69 90.58 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.457 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 69.7 mtt180 -57.54 -33.94 68.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.866 0.365 . . . . 0.0 110.89 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -63.7 -31.88 73.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 33.7 m -98.14 17.6 2.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 74.12 4.42 67.94 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.477 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -82.5 116.99 22.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.863 0.363 . . . . 0.0 110.856 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -81.74 -31.67 31.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -99.5 119.07 37.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.405 ' H ' ' NE2' ' A' ' 84' ' ' GLN . 0.0 OUTLIER -62.28 -35.1 77.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.92 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.7 mt -69.62 -35.42 75.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.95 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -60.25 -40.52 90.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -66.85 -46.08 76.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.85 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.6 p -65.49 -37.39 86.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.8 mtt-85 -62.56 -51.03 68.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 92.7 t -70.6 -45.61 73.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.145 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -61.36 -35.73 78.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 55.3 tttt -56.98 -48.49 78.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.29 -25.62 55.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 3.8 t -57.91 -50.01 74.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 47.0 p -106.17 -11.05 16.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.11 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.73 -7.36 67.94 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.47 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.65 148.49 45.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.737 0.303 . . . . 0.0 111.125 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.13 162.45 39.33 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.664 0.745 . . . . 0.0 110.841 -179.755 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -32.58 18.44 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.658 2.238 . . . . 0.0 112.313 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.9 p -67.31 -34.12 76.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.63 -47.53 31.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -60.14 -45.97 91.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 25.5 tpt85 -59.3 -40.4 86.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.854 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -67.11 -26.45 66.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 89.71 -9.2 77.99 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.516 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 35.5 t . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 120.744 0.307 . . . . 0.0 110.873 -179.833 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.799 0.333 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -78.56 148.62 33.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -54.77 -32.86 60.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.0 tpp180 -70.94 -44.62 65.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 97.8 t -69.07 -39.7 79.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 -56.44 -35.19 67.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.71 -41.4 99.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.28 -36.28 74.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.058 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 66.5 m -60.24 -36.71 78.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.925 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 62.0 tp60 -61.38 -36.52 80.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -68.01 -44.07 77.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.9 mt -64.26 -36.95 78.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.123 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.4 t -66.34 -44.76 82.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -67.41 -25.33 65.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.877 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -100.49 18.05 20.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.817 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.0 tt -63.49 -26.52 68.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.53 -21.01 22.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.045 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.88 142.61 57.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.909 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.3 t -80.5 -48.35 12.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -84.49 97.6 9.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -107.77 108.58 19.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -116.85 132.98 56.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 13.3 tt -69.25 -23.14 26.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.111 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.93 -40.88 85.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.9 t -70.12 -29.59 66.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.805 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 86.7 t -68.05 -47.21 79.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.12 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.04 -40.16 96.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.083 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -63.97 -36.98 85.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -57.86 -34.59 69.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.9 m -98.49 16.11 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 87.2 m 51.52 36.63 17.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.1 tp -136.14 164.42 28.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.3 m -81.94 159.67 65.24 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.643 0.735 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 -39.09 6.85 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.626 2.217 . . . . 0.0 112.294 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.0 t -64.62 -46.82 80.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.877 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.4 tpt180 -71.54 -35.16 70.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.0 tp -68.5 -44.52 74.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 75.7 m -59.44 -39.95 85.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -59.46 -49.09 79.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.4 mt -71.85 -32.04 67.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -61.14 -50.63 72.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.427 ' HA ' ' O ' ' A' ' 47' ' ' ILE . 48.5 ttt180 -69.9 -23.88 63.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -78.78 -43.47 25.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 57.1 mm-40 -81.92 -40.46 22.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.0 -14.55 38.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.35 4.54 51.46 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.489 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.427 ' O ' ' HA ' ' A' ' 42' ' ' ARG . 28.2 pt -150.14 163.29 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.83 0.348 . . . . 0.0 111.107 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 t -74.38 146.15 43.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.7 p -54.27 -32.86 24.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.14 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.9 tp -62.79 -45.99 90.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.5 m -73.03 -38.55 66.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 43.6 t90 -58.28 -40.51 82.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.932 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -47.32 81.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -62.61 -46.31 88.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.37 -41.15 93.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.872 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -70.3 -34.98 73.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 -57.81 -47.07 83.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 50.1 mm -73.4 -45.01 53.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.142 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 60.4 m -58.54 -33.62 70.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 38.2 tp60 -70.06 -44.59 68.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.77 -36.85 73.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.27 -43.55 64.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.7 tp -57.88 -50.54 72.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.918 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.8 pp -68.95 -36.79 78.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.0 mt -59.81 -28.99 67.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 58.6 m -71.64 -26.01 62.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.6 t -110.58 5.91 21.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.155 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 44.5 p -133.27 160.47 37.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.166 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.21 18.28 10.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.879 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 53.7 mtm -68.62 153.36 95.9 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.58 0.705 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 158.06 58.2 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.704 2.269 . . . . 0.0 112.322 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 6.0 mt -51.76 -35.4 17.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.54 -47.23 86.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.091 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 90.9 m -66.61 -49.07 67.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.196 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 39.5 t -57.96 -39.99 74.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.17 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.81 -32.48 58.99 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.489 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.5 -33.36 75.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.851 0.357 . . . . 0.0 110.93 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -66.07 -31.44 72.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 15.6 m -92.32 11.45 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.124 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 76.35 3.4 76.95 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.523 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -94.89 116.57 28.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.83 0.348 . . . . 0.0 110.894 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -85.5 -26.67 26.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -87.07 118.87 26.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -62.62 -38.09 88.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -67.71 -32.98 73.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -62.12 -48.52 79.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -66.62 -43.69 84.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.928 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.8 p -64.79 -37.42 87.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.846 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 60.1 mtt180 -62.74 -50.44 71.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 88.9 t -70.22 -46.01 73.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -61.36 -36.29 79.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.63 -47.28 82.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? -75.55 -25.03 56.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.962 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 13.5 t -55.4 -49.78 71.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 40.5 p -110.74 -8.87 14.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.93 -6.49 66.94 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.462 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.63 148.45 45.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.829 0.347 . . . . 0.0 111.128 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.1 162.14 42.0 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.663 0.744 . . . . 0.0 110.826 -179.786 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -32.26 19.12 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.73 2.287 . . . . 0.0 112.34 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 54.7 p -67.28 -34.15 76.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -74.58 -47.69 31.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.925 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -65.72 -47.47 75.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.3 -30.12 70.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.53 -28.4 68.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 82.18 12.0 81.48 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.481 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 9.9 t . . . . . 0 C--N 1.328 -0.348 0 CA-C-O 120.796 0.331 . . . . 0.0 110.841 -179.852 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.73 0.3 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -79.08 148.49 32.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.828 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 30.3 m-20 -53.8 -45.43 70.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 31.0 mtm180 -59.28 -42.61 91.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.829 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 48.1 t -68.82 -38.64 79.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.09 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.95 -34.64 76.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -62.14 -34.66 76.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.65 -35.88 73.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.7 t -59.64 -33.84 72.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 65.1 mm-40 -60.77 -43.64 97.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -69.55 -48.55 59.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.8 mt -61.4 -35.95 69.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.112 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.1 t -57.28 -44.09 83.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.818 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -67.52 -34.55 77.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -95.73 17.93 14.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.7 tp -62.25 -26.43 68.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -93.48 -21.03 19.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.066 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -62.05 146.66 49.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m -88.79 -50.36 6.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -81.78 103.71 11.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -103.92 127.38 51.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -115.98 110.67 19.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.8 tt -57.16 -24.19 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.74 -44.9 90.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.13 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 72.7 m -64.2 -29.51 70.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.843 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 61.7 t -64.86 -48.01 86.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.08 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.56 -39.89 84.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -62.75 -37.21 85.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -57.95 -34.87 70.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 33.8 m -96.61 16.42 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 63.3 m 51.53 37.03 18.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.0 tp -138.64 163.98 30.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.1 m -73.96 159.89 83.08 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.681 0.753 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -39.44 6.6 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.721 2.281 . . . . 0.0 112.346 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.7 m -67.57 -46.89 71.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.1 tpp180 -65.21 -43.09 92.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.857 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.0 tp -68.83 -44.3 73.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 83.6 p -59.9 -39.92 87.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 16.7 t60 -59.5 -48.94 79.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.0 mt -71.89 -31.46 66.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -59.34 -50.23 74.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 27.9 ttp85 -68.5 -25.84 65.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -78.06 -40.43 38.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 41.2 mm-40 -81.48 -39.49 24.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.53 -16.86 31.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.89 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 67.85 8.48 53.23 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 21.1 pt -149.36 172.34 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.835 0.35 . . . . 0.0 111.16 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 m -77.36 146.63 36.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 29.4 t -54.02 -40.07 44.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.114 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 34.5 mt -62.12 -37.43 85.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 18.0 t -72.81 -43.21 63.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 52.6 t90 -58.73 -42.49 88.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.19 -47.13 87.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -65.92 -43.54 87.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.9 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -55.16 -49.03 72.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 16.9 mm100 -66.24 -34.91 79.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 39.0 mtt180 -59.21 -45.59 90.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 50.9 mm -70.88 -45.26 74.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.142 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 24.2 t -59.38 -38.37 80.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.82 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 21.0 tp60 -71.4 -38.45 71.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.72 -46.17 86.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.083 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -71.18 -33.39 69.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.1 tt -67.94 -50.11 57.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.955 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.5 pp -69.72 -37.74 76.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.913 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.0 mt -56.67 -28.97 61.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.0 p -74.46 -34.42 63.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.6 t -98.73 8.49 44.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.186 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 48.7 p -133.31 159.43 40.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.14 18.34 10.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 61.4 mtm -73.68 155.38 89.13 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.567 0.699 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 162.43 42.1 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.693 2.262 . . . . 0.0 112.294 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 43.8 mm -57.26 -30.85 36.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.181 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.96 -47.17 78.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.078 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 45.3 m -70.41 -44.6 67.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.14 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 81.8 t -56.14 -40.6 65.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.089 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.72 -40.79 89.46 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.514 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 26.4 mtp85 -57.74 -34.38 69.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.882 0.373 . . . . 0.0 110.862 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -62.09 -31.8 72.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.907 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 33.0 m -99.47 18.03 2.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.113 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 73.34 5.21 66.37 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.5 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -83.15 116.95 22.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.337 . . . . 0.0 110.891 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.31 -31.47 23.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -94.16 119.23 32.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -62.19 -40.77 97.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.927 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -68.89 -32.99 73.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -59.99 -41.7 92.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -66.83 -45.69 77.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 77.3 p -65.46 -37.99 88.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.824 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.4 mtp180 -62.97 -50.55 70.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 88.3 t -69.94 -46.54 73.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.138 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -61.45 -34.94 76.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.55 -48.71 76.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.82 -25.61 56.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 6.3 t -55.8 -49.91 71.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 70.5 p -108.72 -10.46 15.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.85 -6.11 66.91 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.467 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.61 148.96 46.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.807 0.337 . . . . 0.0 111.067 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.34 162.33 42.02 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.664 0.745 . . . . 0.0 110.835 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -32.97 17.47 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.688 2.259 . . . . 0.0 112.351 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.4 t -67.43 -33.98 76.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -74.28 -47.52 34.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -60.74 -47.15 87.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 29.8 ttt180 -62.96 -37.68 88.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.833 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.15 -26.41 63.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 81.28 11.92 82.82 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.458 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 4.4 t -75.68 135.2 40.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.769 0.318 . . . . 0.0 110.867 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.848 -179.845 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.807 0.336 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -78.56 148.37 33.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.805 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -54.09 -45.44 71.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 72.5 mtm180 -61.04 -43.05 99.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 97.0 t -68.12 -37.82 78.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -54.4 -34.5 61.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -62.14 -38.61 89.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.97 -35.42 73.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.091 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 24.2 t -59.0 -34.02 71.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.822 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 41.4 tp60 -62.25 -45.93 91.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -69.83 -48.45 58.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 67.3 mt -61.14 -36.19 70.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.134 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.6 t -65.21 -41.81 94.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -66.82 -25.89 66.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -106.14 17.97 22.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.4 tp -58.77 -26.08 63.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -92.9 -20.98 20.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.084 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -63.25 145.35 55.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.823 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.2 p -82.08 -50.44 9.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -75.86 106.13 7.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -118.47 109.14 15.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -116.55 132.68 56.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.85 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.3 tt -69.3 -22.78 26.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.152 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.7 -44.89 90.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.6 t -68.13 -31.34 70.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.818 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 26.2 t -69.81 -42.23 79.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.82 -41.89 86.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -61.31 -37.06 81.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -57.88 -34.76 70.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 34.7 m -98.09 20.29 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.119 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 60.0 m 51.33 36.73 17.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -136.21 164.24 28.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.963 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.8 m -82.66 159.59 63.39 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.634 0.73 . . . . 0.0 110.908 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -36.58 10.44 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.697 2.264 . . . . 0.0 112.329 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.4 t -66.8 -46.63 74.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.7 mmt85 -71.83 -38.63 70.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.92 -44.84 72.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.941 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.5 t -60.71 -41.22 94.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -59.41 -48.52 81.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 79.7 mt -71.42 -31.47 67.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -57.72 -50.16 74.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -68.39 -25.29 64.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -77.97 -41.02 37.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -81.43 -39.29 25.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.37 -16.93 31.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.939 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 67.96 8.06 52.13 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.465 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 24.7 pt -149.63 171.16 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.854 0.359 . . . . 0.0 111.136 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.31 146.44 36.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 27.4 m -53.93 -38.21 36.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.129 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.6 mp -62.7 -38.52 90.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.2 t -73.05 -42.86 62.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 49.9 t90 -58.63 -42.44 88.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.926 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.7 -47.18 87.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -66.12 -46.68 76.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.919 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -55.72 -44.66 77.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -69.54 -35.47 75.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.9 mtp180 -62.74 -46.17 89.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.84 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 47.6 mm -66.26 -43.95 91.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.4 t -67.75 -31.05 70.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 30.6 tp60 -68.74 -44.04 74.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.87 -43.23 85.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.087 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.7 mtpt -71.27 -33.3 69.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.942 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.4 tp -67.91 -50.05 58.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.943 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.3 pp -69.34 -37.47 77.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.3 mt -62.7 -28.73 70.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.3 t -75.44 -21.17 58.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.832 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 4.6 t -110.35 0.56 18.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.103 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 30.2 p -133.21 164.32 27.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.49 18.33 10.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.804 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 68.9 mtm -66.79 155.71 88.83 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.542 0.687 . . . . 0.0 110.876 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 166.39 27.78 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.679 2.252 . . . . 0.0 112.378 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 37.0 mt -62.7 -30.94 50.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.128 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.53 -47.19 79.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.068 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 95.7 m -70.05 -45.15 67.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.136 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 85.6 t -56.23 -40.52 65.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.116 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.77 -44.29 91.81 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.452 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.4 mmm180 -57.71 -33.78 68.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.865 0.364 . . . . 0.0 110.865 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -61.3 -31.9 71.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 34.0 m -99.6 17.33 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.167 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 78.41 0.57 79.05 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.48 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -83.43 117.06 22.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.875 0.369 . . . . 0.0 110.867 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -85.4 -31.48 22.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.884 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -93.11 118.49 31.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -63.14 -41.21 99.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.913 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 18.5 mt -69.03 -32.61 72.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.932 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -60.03 -48.41 81.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.96 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -61.58 -46.67 88.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.4 m -65.22 -36.49 84.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 25.3 mtp85 -62.68 -51.76 65.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.917 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.7 p -71.18 -39.57 73.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -65.91 -36.04 82.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 18.1 ttpt -57.41 -48.12 79.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 33.6 mtpt -76.36 -25.55 54.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 2.2 m -59.06 -50.13 75.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 44.3 p -105.21 -10.4 17.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.63 -9.11 68.86 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.473 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.92 148.85 45.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.788 0.328 . . . . 0.0 111.151 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.09 162.74 36.41 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.672 0.748 . . . . 0.0 110.829 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -32.13 19.1 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.7 2.267 . . . . 0.0 112.335 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 48.4 t -67.41 -34.33 77.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -74.63 -47.76 30.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -58.58 -38.77 78.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.35 -37.7 86.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.67 -36.56 81.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 86.87 -9.13 73.18 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.505 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 31.5 p -54.46 137.12 43.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.799 0.333 . . . . 0.0 110.884 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.864 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 ttt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.81 0.338 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.72 148.3 22.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.855 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 26.1 t30 -64.92 -29.43 70.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -70.91 -49.78 42.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 27.5 m -69.84 -37.67 73.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.6 ttt-85 -59.09 -37.72 77.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -62.22 -44.78 95.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.58 -35.65 72.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.131 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 94.3 m -59.6 -34.3 72.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.8 tm0? -61.32 -43.03 99.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -69.39 -44.7 70.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.973 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.6 mt -62.9 -43.72 99.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.126 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 60.2 m -58.57 -41.77 86.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -65.7 -35.54 81.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -96.73 17.92 15.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.2 tp -60.68 -27.83 68.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.942 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.66 -21.09 24.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.046 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.99 141.08 58.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.849 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.0 t -80.95 -51.06 8.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 20.1 m-20 -78.47 107.43 11.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -112.66 125.32 54.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.868 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -116.05 112.15 21.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.837 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.5 tt -55.46 -25.71 18.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.112 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.18 -42.31 94.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 65.7 m -63.01 -29.35 70.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 99.0 t -67.25 -50.66 61.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.157 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.24 -41.67 85.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.134 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -62.54 -37.13 84.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -57.99 -34.88 70.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 26.8 m -97.23 17.01 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.153 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 54.8 m 51.6 36.77 18.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -137.56 164.03 29.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.36 157.74 84.4 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.675 0.75 . . . . 0.0 110.888 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -39.56 6.42 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.675 2.25 . . . . 0.0 112.35 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 72.5 m -67.65 -46.92 71.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.02 -41.66 86.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.906 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.8 tp -69.01 -44.48 72.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 86.7 p -59.97 -39.14 84.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 20.7 t60 -59.49 -49.22 78.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.8 mt -72.2 -31.95 66.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.951 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -58.5 -49.92 75.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -68.25 -25.84 65.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.816 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -78.06 -40.51 38.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 -81.4 -39.44 24.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.929 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.51 -16.82 31.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 67.39 9.01 53.89 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.526 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 20.2 pt -149.1 171.87 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.792 0.33 . . . . 0.0 111.149 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.3 p -77.2 149.27 35.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.2 t -54.13 -45.17 65.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.155 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.6 mp -60.71 -32.71 71.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.95 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.6 t -72.92 -45.83 55.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 69.7 t90 -59.08 -44.72 91.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -59.46 -47.06 86.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -65.96 -41.25 91.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -57.58 -45.68 84.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -70.16 -36.86 75.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 20.2 mtp180 -58.11 -46.68 85.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 50.1 mm -68.5 -38.42 79.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.8 p -65.21 -35.68 81.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -69.52 -39.56 77.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.43 -46.14 84.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.12 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -71.33 -33.28 69.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.1 tt -67.94 -50.06 58.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.4 pp -69.64 -37.61 76.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.1 mt -57.17 -28.94 63.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.967 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.2 m -73.2 -24.65 60.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.834 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.3 t -109.23 4.27 22.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 29.5 p -133.22 162.01 32.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.146 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -122.39 18.24 10.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 56.7 mtm -68.38 153.54 95.48 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.565 0.697 . . . . 0.0 110.847 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 166.37 27.74 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.692 2.261 . . . . 0.0 112.366 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 41.8 mm -58.59 -30.96 42.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.146 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.43 -47.17 77.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.072 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.0 m -67.15 -48.46 67.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.206 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.8 t -56.3 -40.76 68.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.62 -42.94 91.22 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.515 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 -57.23 -33.99 68.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.807 0.337 . . . . 0.0 110.861 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -63.53 -31.96 73.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 33.1 m -98.57 18.52 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.147 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 73.04 5.49 65.59 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -83.24 116.93 22.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.868 0.366 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -83.08 -31.5 27.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -95.72 119.18 33.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.919 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -62.24 -40.04 94.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 13.7 mt -68.88 -33.33 73.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -60.37 -41.55 93.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -66.66 -44.41 81.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.9 p -65.6 -37.41 86.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 16.5 mtp180 -62.97 -50.98 68.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 95.4 t -70.46 -45.7 73.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -61.44 -35.57 77.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.5 ttpt -56.82 -44.53 82.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -76.09 -25.68 55.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 36.1 t -59.43 -49.99 75.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 35.3 p -104.2 -10.95 17.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.16 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.67 -9.03 68.79 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.481 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.8 148.29 45.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.757 0.313 . . . . 0.0 111.113 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.85 162.58 35.91 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.688 0.756 . . . . 0.0 110.819 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -32.05 19.22 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.704 2.269 . . . . 0.0 112.335 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 55.1 p -67.51 -34.19 76.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -74.69 -47.7 30.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -58.53 -40.4 82.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.907 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 40.5 ttt180 -59.53 -39.13 82.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.24 -27.29 67.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.024 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 87.1 11.88 69.01 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.499 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 4.1 t -87.2 129.23 35.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.784 0.326 . . . . 0.0 110.882 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.905 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.78 0.324 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -78.66 148.61 33.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -53.82 -45.16 70.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -70.36 -41.08 73.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.832 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.6 t -62.65 -38.61 82.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.58 -37.71 88.37 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.893 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -62.37 -34.02 75.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.35 -35.3 77.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.074 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 33.7 t -59.13 -34.22 71.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -65.43 -45.28 84.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -69.63 -48.54 59.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 11.0 mt -61.26 -40.87 87.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.161 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.8 t -57.0 -43.41 81.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -67.4 -21.95 65.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -101.33 17.86 21.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.3 tt -60.04 -30.88 69.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.977 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -93.35 -21.02 19.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.097 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.96 151.1 35.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.3 m -97.9 -51.27 4.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.858 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -78.2 105.74 9.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.945 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -111.75 124.64 52.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.83 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -116.0 111.59 20.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 12.3 tt -54.94 -26.27 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.161 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.91 -42.71 98.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.088 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.9 m -63.0 -30.63 71.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 63.3 t -70.15 -37.79 72.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.049 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.44 -48.72 66.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -61.73 -37.14 83.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -57.85 -34.81 70.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 32.2 m -97.46 14.43 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.156 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 41.7 m 51.54 36.47 17.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.7 tp -141.17 158.73 43.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.1 158.63 86.95 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.706 0.765 . . . . 0.0 110.851 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -39.6 6.3 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.703 2.269 . . . . 0.0 112.353 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 40.7 t -67.77 -46.84 70.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.7 tpp180 -68.76 -40.71 79.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 23.8 tp -68.79 -44.46 73.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.6 m -59.86 -39.25 84.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -59.65 -49.1 79.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.849 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 30.2 mt -72.02 -31.58 66.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.953 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -59.73 -50.39 74.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -68.5 -25.62 65.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 11.1 tp60 -78.16 -40.74 36.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 59.0 mm-40 -81.48 -39.45 24.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.46 -17.09 31.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.0 8.18 52.78 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.455 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 21.8 pt -149.29 173.35 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.819 0.342 . . . . 0.0 111.15 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.3 m -77.37 146.92 36.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 29.5 t -54.02 -43.69 59.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.11 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.95 -33.74 74.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 29.3 m -72.95 -44.56 61.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 65.2 t90 -58.72 -42.04 87.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.8 ttt85 -58.19 -47.22 84.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -66.15 -39.54 89.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -66.73 -35.02 79.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -67.35 -45.31 76.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -71.12 -43.34 67.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 24.4 mm -65.24 -42.19 93.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.104 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 30.7 t -70.54 -31.85 69.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.827 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 18.6 tp60 -70.71 -38.64 73.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.13 -45.89 72.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.088 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -71.84 -32.8 67.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.8 tt -58.13 -50.94 71.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.937 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.6 pp -70.47 -36.57 73.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.85 -28.89 58.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.951 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.5 t -71.93 -31.98 66.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.3 t -102.83 6.06 39.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.148 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 46.1 p -133.36 168.13 19.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.39 18.23 10.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 66.7 mtm -68.49 153.54 95.57 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.586 0.707 . . . . 0.0 110.862 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 166.19 28.48 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.668 2.245 . . . . 0.0 112.355 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 39.8 mt -62.19 -30.92 49.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.096 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.38 -47.22 80.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.073 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 96.7 m -65.76 -48.91 70.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.171 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.3 t -56.18 -40.51 65.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -59.07 -40.83 96.09 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.485 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -57.05 -34.14 67.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.847 0.356 . . . . 0.0 110.886 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -62.61 -31.69 72.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 33.7 m -99.77 18.74 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 73.12 5.17 65.15 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.459 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -82.59 116.88 22.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.83 0.348 . . . . 0.0 110.862 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -88.84 -31.64 18.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -93.1 119.24 32.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.895 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -61.15 -40.71 94.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.96 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 20.4 mt -66.6 -33.09 74.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.935 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -61.13 -42.59 98.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -65.59 -46.65 78.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.847 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.7 m -65.55 -37.44 86.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -62.68 -51.08 68.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 92.3 t -70.59 -45.49 74.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.149 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -61.32 -35.93 78.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 59.1 tttt -57.21 -47.99 79.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.3 mtpm? -76.16 -25.65 55.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 2.2 m -59.61 -50.01 75.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 48.7 p -104.0 -11.18 17.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.179 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.66 -9.03 68.81 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.485 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.85 148.45 45.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.787 0.327 . . . . 0.0 111.131 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.01 162.6 37.08 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.662 0.744 . . . . 0.0 110.838 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -32.03 19.47 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.718 2.279 . . . . 0.0 112.323 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.1 m -67.51 -34.17 76.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -74.62 -47.71 30.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -61.76 -45.47 93.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 62.0 ttp85 -63.99 -30.52 71.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -77.02 -35.49 56.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.055 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 86.91 11.93 69.44 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.55 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 7.1 t -70.24 126.29 29.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 0.0 110.867 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.899 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.779 0.323 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -78.8 148.26 32.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.842 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 26.3 m120 -53.96 -45.34 71.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 48.8 mtm180 -66.25 -47.48 73.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 77.9 t -59.82 -39.34 79.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -34.81 78.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -62.29 -47.41 84.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.877 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.34 -35.94 74.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.177 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 89.4 m -59.9 -35.73 75.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 20.7 tp60 -62.23 -40.33 95.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -69.46 -45.89 67.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 60.3 mt -63.25 -35.98 74.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.09 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.2 p -66.34 -43.36 86.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.33 -30.09 69.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -95.75 17.91 14.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.4 tp -62.23 -25.44 67.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.56 -21.01 21.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -62.66 146.09 52.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.3 t -86.21 -50.81 6.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.856 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -81.38 108.28 14.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -110.23 117.68 34.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.938 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -116.03 116.42 27.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.9 tt -58.06 -24.53 24.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.5 -45.03 92.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.058 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 81.3 p -63.8 -29.51 70.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.839 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 99.1 t -65.61 -49.18 79.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.14 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.39 -34.99 78.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.078 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 56.0 tp60 -64.83 -37.23 86.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.931 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -60.95 -34.76 75.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 26.9 m -93.73 13.04 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.167 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 60.2 m 51.43 38.36 21.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.3 mt -140.99 164.2 30.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.7 m -71.76 157.72 89.15 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.65 0.738 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -39.42 6.47 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.668 2.245 . . . . 0.0 112.36 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.0 m -67.6 -46.77 71.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -65.7 -42.94 90.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.851 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.3 tp -68.82 -44.58 73.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 30.5 t -60.16 -39.11 85.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.833 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 16.3 t60 -59.48 -49.34 78.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.816 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 73.8 mt -72.2 -32.06 66.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -57.61 -49.84 75.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -68.1 -25.66 65.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.866 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -77.94 -40.35 39.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 70.5 mm-40 -81.46 -39.41 24.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.52 -17.1 31.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 67.84 8.86 54.77 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.472 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 19.9 pt -149.06 172.67 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.861 0.362 . . . . 0.0 111.113 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.5 p -77.36 147.87 35.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 42.5 t -53.95 -43.67 58.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.109 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.5 mp -61.71 -33.86 74.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 30.2 t -72.88 -44.85 60.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 48.3 t90 -58.88 -41.18 86.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 36.0 ttp180 -61.13 -47.18 87.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -65.94 -46.74 77.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.04 -37.58 85.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -66.15 -39.12 89.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.949 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.3 mtp85 -59.34 -43.0 92.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 49.9 mm -67.88 -44.14 85.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.158 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.1 t -67.01 -31.03 71.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.2 tp60 -71.04 -44.29 66.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.81 -36.34 69.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.094 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.0 mttp -61.81 -40.3 94.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 50.9 tp -62.62 -43.18 99.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.926 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 mt -70.12 -44.17 69.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.1 mt -67.44 -25.46 65.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 26.8 t -90.77 -26.5 19.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.7 t -94.57 -12.89 26.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.164 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.1 p -131.96 173.58 11.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.152 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.74 18.38 12.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 71.3 mtm -65.09 153.72 88.47 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.553 0.692 . . . . 0.0 110.887 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 163.69 37.37 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.677 2.252 . . . . 0.0 112.306 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 47.8 mt -58.69 -30.94 43.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.17 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.35 -47.23 80.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.087 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 93.0 m -71.48 -40.5 70.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.132 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 94.7 t -56.12 -40.68 65.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.118 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.86 -40.16 89.49 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.485 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 64.2 mtt180 -58.67 -34.35 71.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -61.56 -31.88 71.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 33.4 m -99.35 17.32 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.144 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 73.82 4.83 67.7 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.485 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -82.83 117.05 22.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.862 0.363 . . . . 0.0 110.889 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -82.62 -31.51 28.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -96.65 119.13 34.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.914 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -62.41 -40.77 97.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.901 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 80.2 mt -66.38 -32.92 74.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -63.26 -42.6 99.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -66.69 -48.04 70.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 65.1 p -65.47 -37.31 86.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 36.0 mmm-85 -63.16 -51.04 68.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 85.9 t -70.57 -46.06 71.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.091 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -61.24 -35.84 78.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.21 -30.81 64.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.95 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -76.64 -25.41 53.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 43.3 t -63.55 -50.53 69.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.857 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 27.5 p -99.55 -12.62 19.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.27 -9.84 69.61 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.48 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -138.45 152.64 48.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 0.0 111.094 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.9 163.57 21.87 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.649 0.738 . . . . 0.0 110.854 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -27.01 27.35 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.689 2.26 . . . . 0.0 112.389 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.1 p -67.48 -33.65 75.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.17 -47.99 32.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.891 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -59.59 -42.04 91.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 33.0 ttp85 -58.17 -33.67 69.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -67.16 -31.23 71.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.073 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 82.39 11.99 81.21 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.487 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 4.6 t -69.25 130.24 42.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.754 0.311 . . . . 0.0 110.864 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.927 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.763 0.316 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -78.65 148.43 33.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -53.89 -39.38 65.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.03 -47.0 66.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 88.5 t -63.04 -38.8 83.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.23 -39.79 87.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -63.21 -37.62 87.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.7 -36.26 73.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.079 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 69.3 m -60.01 -34.27 73.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -60.93 -42.24 97.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -69.41 -44.67 70.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.3 mt -61.41 -37.38 77.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.118 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.7 p -63.36 -36.84 85.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.82 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -67.95 -18.61 64.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -110.92 17.99 19.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.79 -39.14 62.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.33 -20.94 43.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -62.11 154.34 27.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.1 m -101.1 -50.29 3.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -83.8 108.13 16.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -90.46 134.61 34.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -116.0 103.38 10.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.7 tp -61.79 -26.39 39.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.13 -44.85 96.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.9 m -64.92 -29.49 70.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.839 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.6 t -66.18 -51.88 54.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.139 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.73 -44.55 77.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.109 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -61.24 -36.04 78.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -56.72 -34.73 67.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 32.8 m -98.94 22.01 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 54.6 m 51.62 36.58 17.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -135.17 164.24 28.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.4 m -79.68 157.87 73.96 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.655 0.74 . . . . 0.0 110.859 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -38.56 7.6 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.702 2.268 . . . . 0.0 112.309 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.2 t -66.88 -46.9 73.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -70.33 -39.11 74.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.41 -44.46 71.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.2 t -59.84 -39.95 86.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.887 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -59.5 -48.91 79.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.821 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 77.8 mt -71.94 -31.74 66.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -59.2 -50.32 74.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 24.0 ttp180 -68.38 -25.73 65.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -78.03 -40.55 38.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -81.42 -39.48 24.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.39 -17.01 31.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.96 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.02 8.12 52.67 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.52 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 19.8 pt -149.13 172.73 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.804 0.335 . . . . 0.0 111.114 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.1 t -77.37 149.38 35.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.1 t -54.46 -44.8 69.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.128 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 75.9 mt -61.72 -32.22 72.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 47.3 t -72.76 -45.8 56.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 57.3 t90 -59.12 -40.54 85.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.8 ttt85 -60.69 -46.39 90.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -65.74 -46.7 77.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.84 -37.61 87.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -67.65 -34.61 77.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.3 mtp85 -57.52 -46.73 83.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.833 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.0 mp -70.94 -44.97 75.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.175 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.2 t -56.36 -38.35 71.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.0 tp60 -71.79 -43.09 66.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.93 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.5 -35.45 77.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -66.31 -33.02 74.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.8 tt -64.54 -52.41 57.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.2 pp -72.04 -37.47 69.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.886 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.96 -28.9 69.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.8 t -75.94 -21.86 56.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.2 t -108.99 0.22 19.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.153 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 33.3 p -131.67 146.39 52.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -104.67 18.32 22.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 47.9 mtm -63.5 158.56 57.73 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.539 0.685 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 152.43 69.41 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.669 2.246 . . . . 0.0 112.361 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 66.1 mt -51.74 -30.96 12.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.34 -47.01 80.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.057 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 86.0 m -67.32 -50.24 60.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.176 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.6 t -60.44 -41.01 85.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.86 -32.41 62.11 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.509 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -70.52 -32.12 69.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.822 0.344 . . . . 0.0 110.87 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -59.36 -31.16 68.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 11.9 m -94.29 1.0 10.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.87 0.14 66.61 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.431 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -90.25 117.0 28.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.862 0.363 . . . . 0.0 110.892 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -86.6 -31.45 21.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.843 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -86.3 118.98 26.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -62.45 -38.35 89.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -68.89 -34.73 75.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -60.16 -47.92 83.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -63.37 -42.33 98.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.869 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.8 p -65.4 -37.7 87.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 62.8 mtm180 -62.94 -50.61 70.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.832 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 88.9 t -70.29 -45.89 73.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.154 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 42.2 t80 -61.37 -36.09 79.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.31 -48.26 79.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 50.4 mttm -76.26 -25.66 55.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 4.5 m -59.37 -50.02 75.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 68.3 p -104.33 -10.97 17.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.148 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.69 -9.07 68.72 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.506 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.84 148.24 45.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.777 0.322 . . . . 0.0 111.105 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.97 162.56 37.11 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.675 0.75 . . . . 0.0 110.875 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -31.82 19.87 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.729 2.286 . . . . 0.0 112.336 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.5 m -67.53 -34.21 76.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -74.7 -47.71 30.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -59.84 -42.41 93.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 30.1 ttt180 -68.31 -33.07 73.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -77.19 -25.2 51.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 83.67 11.98 78.63 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.532 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 43.5 t -75.22 132.24 40.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.758 0.313 . . . . 0.0 110.919 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.84 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.775 0.321 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -78.71 149.16 32.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -53.48 -27.29 24.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.3 mtp180 -68.4 -50.21 54.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 67.8 t -70.2 -38.57 75.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -54.78 -42.09 71.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.941 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -62.93 -47.14 84.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.64 -35.71 72.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.092 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 23.3 m -59.6 -36.8 76.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -64.72 -36.86 85.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -67.86 -41.4 82.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.7 mt -61.2 -36.64 74.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.116 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.4 t -57.65 -34.49 69.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -67.26 -34.54 77.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.917 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 -93.7 17.88 11.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.1 tp -60.7 -31.37 70.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -93.95 -20.98 19.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.103 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -63.59 144.53 56.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.1 m -86.4 -51.3 6.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.825 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 66.1 m-80 -87.16 100.72 12.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -88.06 136.49 32.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.07 95.25 5.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.1 tp -57.02 -23.74 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.159 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.68 -45.0 95.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.098 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.6 m -63.77 -29.37 70.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 76.5 t -65.66 -49.28 78.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.152 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.86 -41.9 82.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.072 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 51.4 tp60 -62.05 -37.16 83.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -57.93 -34.88 70.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 26.9 m -97.55 19.07 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.095 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 57.5 m 51.44 36.8 17.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 18.3 tp -136.41 164.18 28.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.9 m -78.18 159.3 75.74 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.65 0.738 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -39.13 6.81 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.68 2.254 . . . . 0.0 112.359 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 63.1 m -67.37 -46.62 72.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 -68.53 -40.99 80.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.847 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.3 tp -68.87 -44.34 73.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 86.6 p -59.91 -40.4 88.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.828 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 16.9 t60 -59.55 -48.76 80.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.831 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 72.7 mt -71.68 -31.5 66.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -59.12 -50.51 73.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -68.64 -25.48 64.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -77.92 -40.99 37.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.933 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -81.54 -39.39 24.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.3 -16.95 31.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 67.7 8.05 50.73 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.514 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 24.1 pt -149.66 173.48 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.83 0.347 . . . . 0.0 111.148 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.3 p -77.52 147.03 36.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.9 t -53.99 -44.04 60.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.126 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.6 mt -62.11 -34.25 75.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.8 t -72.86 -43.54 62.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 44.8 t90 -58.62 -40.35 83.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.6 ttm105 -61.01 -46.98 88.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 58.4 tt0 -65.89 -45.68 81.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.842 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -61.81 -39.78 92.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -68.34 -35.21 77.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.945 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -58.68 -44.98 90.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 37.7 mm -64.32 -39.88 87.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.8 t -56.81 -43.19 80.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 29.0 tp60 -71.17 -38.29 72.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.93 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.05 -46.12 89.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.084 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -71.23 -33.25 69.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.92 -50.13 57.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.92 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.5 pp -70.0 -37.66 75.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 11.0 mt -56.22 -29.03 60.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.5 m -73.26 -32.08 64.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.2 t -101.52 6.86 42.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.15 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 60.9 p -133.27 160.22 37.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.175 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.46 18.44 10.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.843 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 50.2 mtm -70.39 156.3 92.1 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.555 0.693 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 164.13 35.71 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.706 2.271 . . . . 0.0 112.343 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 63.7 mt -59.5 -30.89 45.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.105 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.47 -47.18 76.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.067 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 89.8 m -66.88 -50.14 63.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 64.7 t -56.32 -40.6 67.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.131 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.37 -32.53 60.76 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.487 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -70.82 -32.69 69.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.856 0.36 . . . . 0.0 110.911 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -60.23 -31.52 70.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 15.5 m -92.76 1.16 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.153 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 91.44 0.87 72.47 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.449 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -91.74 116.96 29.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.87 0.367 . . . . 0.0 110.905 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -82.42 -31.36 29.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.834 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -85.81 118.92 25.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -62.59 -37.28 85.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 60.2 mt -68.12 -33.0 73.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -60.02 -47.68 84.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -66.25 -37.42 85.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 71.9 m -65.59 -37.26 86.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 62.6 mtp180 -63.99 -50.56 68.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 65.8 t -70.26 -42.99 78.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -64.39 -36.28 83.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 42.3 tttp -58.13 -47.34 83.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 11.3 pttt -75.52 -24.99 56.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 49.2 t -55.78 -49.91 71.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.847 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 23.4 p -110.05 -9.19 14.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 96.06 -6.51 66.6 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.516 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.75 147.64 44.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.815 0.341 . . . . 0.0 111.118 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.11 162.25 41.03 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.678 0.752 . . . . 0.0 110.857 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -31.82 19.83 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.651 2.234 . . . . 0.0 112.293 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.8 p -67.42 -34.31 76.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -74.72 -47.59 30.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.867 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -58.53 -37.86 76.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -41.18 91.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.869 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -74.88 -27.57 60.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.093 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 86.13 11.95 71.81 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.674 -0.775 . . . . 0.0 112.498 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 8.3 t -83.37 133.59 34.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.725 0.298 . . . . 0.0 110.882 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.886 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.767 0.318 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -78.79 148.58 32.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 70.5 m-20 -53.77 -44.4 70.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 22.6 mtm180 -70.81 -41.13 71.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.2 t -63.01 -39.09 83.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.157 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -38.43 77.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.72 -38.51 90.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.51 -35.44 72.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.07 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 21.4 t -59.42 -34.25 72.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.885 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 28.3 mm100 -65.42 -43.35 90.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -69.57 -48.63 59.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.946 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 66.1 mt -62.27 -41.85 93.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.149 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.5 t -62.93 -41.48 99.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.61 -30.22 70.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.903 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -99.08 17.83 18.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 29.0 tp -57.59 -25.2 59.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.939 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.04 -21.0 47.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.077 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -69.5 152.6 44.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 45.3 t -96.06 -51.11 4.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -82.37 108.89 16.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -82.0 134.07 35.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -115.99 95.08 4.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.859 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.6 tt -61.95 -25.78 38.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.15 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.39 -42.93 87.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.077 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 50.1 m -66.92 -29.95 69.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 84.3 t -68.73 -47.54 75.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.156 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.41 -40.64 93.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 51.1 tp60 -62.12 -37.22 84.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.921 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -58.02 -34.82 70.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 34.4 m -97.43 18.92 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 2.3 t 51.49 36.71 17.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 17.3 tp -136.42 164.1 28.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.949 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.1 m -81.46 159.87 66.1 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.651 0.739 . . . . 0.0 110.858 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -35.66 12.11 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.642 2.228 . . . . 0.0 112.296 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.6 p -67.33 -46.36 73.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.4 tpp85 -71.77 -38.39 70.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.856 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.49 -45.1 69.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 91.3 p -60.6 -41.46 94.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.828 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -59.46 -48.2 82.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 78.9 mt -71.38 -31.29 67.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -59.82 -49.77 76.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.56 -26.26 65.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -78.23 -39.92 38.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -81.31 -39.64 24.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.957 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.77 -16.33 32.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 67.27 9.21 53.99 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.45 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 23.3 pt -149.56 170.76 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.835 0.35 . . . . 0.0 111.132 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.6 m -77.07 147.65 36.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.0 m -53.8 -41.21 47.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.173 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 56.1 mt -62.22 -35.69 79.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.0 t -73.03 -44.15 61.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 60.1 t90 -58.92 -43.58 91.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -61.29 -45.74 93.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -66.15 -43.32 87.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.07 -45.59 90.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -70.05 -34.84 73.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 56.0 mtt180 -57.81 -42.84 85.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 44.3 mm -72.28 -45.44 61.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.178 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.2 t -60.27 -39.21 86.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -71.91 -44.28 63.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.3 -46.41 88.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.095 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -67.93 -33.14 74.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.1 tt -61.44 -49.77 75.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.919 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 mt -70.11 -40.47 74.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.7 mt -63.47 -25.06 68.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.953 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 35.1 t -90.66 -27.53 18.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.886 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.3 t -94.45 -6.92 42.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.134 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 10.8 p -133.27 173.66 11.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 25.6 mmm-85 -119.09 18.32 13.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.827 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 71.9 mtm -66.59 157.0 84.7 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.576 0.703 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 161.83 44.43 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.66 2.24 . . . . 0.0 112.341 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 50.3 mm -63.13 -30.9 50.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.177 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.19 -47.19 77.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.5 m -65.4 -50.21 66.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.17 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 45.5 t -59.86 -40.72 83.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.5 -32.64 61.25 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.495 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 65.0 mtt180 -71.49 -32.58 68.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.844 0.354 . . . . 0.0 110.847 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -59.94 -31.8 70.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 15.7 m -91.78 0.52 9.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.116 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.71 0.72 66.43 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -91.8 117.16 29.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.853 0.359 . . . . 0.0 110.868 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -86.14 -31.5 21.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -90.81 118.58 30.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.8 -34.19 76.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.947 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 19.5 mt -68.96 -35.66 77.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -64.69 -48.48 74.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -66.61 -44.99 80.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.877 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.5 m -65.39 -37.48 87.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 26.3 mtt180 -62.97 -50.54 70.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 93.5 t -70.23 -45.99 73.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.114 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -61.47 -36.16 79.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.51 -41.95 81.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 33.1 mttm -75.77 -25.54 56.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 11.5 t -55.92 -49.9 72.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 30.8 p -108.98 -9.33 15.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.18 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.99 -7.26 67.22 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.465 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.62 147.65 45.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.803 0.335 . . . . 0.0 111.082 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.1 162.32 40.23 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.707 0.765 . . . . 0.0 110.856 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -31.67 20.12 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.654 2.236 . . . . 0.0 112.365 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 27.3 t -67.46 -34.32 76.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -74.74 -47.61 30.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -59.91 -46.29 89.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 18.7 tpt180 -59.22 -40.49 85.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.841 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.36 -30.88 71.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 91.29 -9.07 78.41 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.505 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 37.7 t -55.57 120.5 7.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.726 0.298 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 18.6 pm0 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.91 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.768 0.318 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -78.62 148.65 33.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.874 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -53.68 -43.66 69.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.07 -40.17 92.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.3 t -68.95 -38.48 78.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.165 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.5 -34.76 77.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.903 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -62.12 -37.9 86.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.77 -35.84 73.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.11 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 32.5 t -59.7 -34.19 72.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -63.22 -44.2 95.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -69.45 -48.49 60.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.939 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 53.0 mt -61.25 -42.02 91.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.086 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 85.9 p -57.3 -37.53 72.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -67.32 -27.05 66.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -103.7 17.98 22.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.4 tt -56.6 -27.92 59.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -93.92 -20.96 19.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -68.78 149.11 49.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.4 t -93.4 -51.41 4.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -72.23 105.63 4.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -110.15 127.23 54.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -115.96 108.41 16.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.0 tp -54.93 -26.11 16.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.162 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.98 -44.86 91.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.15 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 71.9 m -63.41 -29.35 70.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 69.9 t -66.37 -50.24 69.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.124 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.69 -35.26 78.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -63.59 -37.16 86.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -57.98 -34.91 70.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 32.7 m -95.82 15.04 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.161 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 64.4 m 51.32 36.82 17.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.5 tp -138.96 164.0 30.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.0 p -72.53 157.24 89.34 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.625 0.726 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -36.57 10.58 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.69 2.26 . . . . 0.0 112.354 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.3 p -65.75 -46.91 77.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.818 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.7 mmt85 -67.67 -44.89 76.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.5 tp -65.02 -45.16 86.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.951 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 39.1 m -60.16 -38.8 84.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 17.3 t60 -59.38 -49.45 77.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.3 mt -72.77 -31.41 64.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.42 ' O ' ' HB2' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -59.64 -50.7 72.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 55.2 ttt-85 -67.22 -26.32 66.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.5 tp-100 -78.69 -38.13 39.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -81.78 -40.56 22.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.42 ' HB2' ' O ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -89.26 -15.04 34.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.06 10.13 50.43 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.507 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 22.1 pt -148.19 170.34 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.842 0.353 . . . . 0.0 111.108 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.2 t -77.34 149.61 35.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 27.5 t -54.63 -45.5 72.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.075 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.5 mp -62.3 -30.16 70.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.85 -46.75 51.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 60.8 t90 -59.17 -40.46 85.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.947 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.21 -47.27 83.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -66.13 -44.13 85.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -62.96 -37.65 87.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -68.32 -37.48 80.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.2 mtp180 -61.43 -42.51 98.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 48.8 mm -69.47 -45.35 78.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.8 t -66.34 -31.08 71.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -69.04 -43.8 73.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.27 -45.54 92.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.099 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 32.3 mtpt -71.29 -33.1 69.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.1 tp -67.88 -50.09 58.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.4 pp -69.79 -37.51 76.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.969 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.6 mt -59.61 -28.79 67.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.7 m -72.3 -26.1 61.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.813 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.3 t -109.6 5.64 23.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.161 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 69.8 p -133.18 159.1 41.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.183 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.48 18.41 10.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 48.2 mtm -68.31 157.47 87.54 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.565 0.698 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 165.12 32.05 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.7 2.266 . . . . 0.0 112.347 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 56.9 mt -60.22 -30.89 46.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.162 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.72 -47.04 79.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.059 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 23.6 m -68.93 -50.26 50.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.103 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 90.7 t -56.72 -40.9 73.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.125 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.77 -32.51 61.94 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.48 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.9 tpp85 -71.53 -32.49 68.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.851 0.358 . . . . 0.0 110.87 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -60.19 -32.28 70.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.915 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 26.8 m -89.26 -1.67 9.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.106 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.1 25.63 16.4 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.441 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -123.8 116.68 23.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.854 0.359 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -82.49 -31.39 29.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -84.75 119.07 24.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.55 -40.59 97.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 34.6 mt -67.8 -33.26 74.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -62.1 -48.53 79.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -66.76 -42.66 85.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.3 p -65.44 -36.71 84.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 20.3 mtp85 -64.25 -50.91 66.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.865 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.1 p -70.39 -40.83 78.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.149 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -66.22 -36.43 83.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 57.7 tttt -57.88 -48.35 80.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.874 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -76.18 -25.66 55.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.894 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.7 m -57.75 -50.01 74.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 72.7 p -106.78 -9.74 16.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.8 -9.05 68.45 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.507 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.9 149.33 46.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.819 0.342 . . . . 0.0 111.08 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.07 162.4 39.38 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.612 0.72 . . . . 0.0 110.9 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -32.26 19.1 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.672 2.248 . . . . 0.0 112.371 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.7 t -67.49 -34.14 76.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -74.61 -47.7 30.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -61.6 -45.34 94.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 24.9 ptt180 -68.06 -32.43 72.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.822 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.97 -36.17 80.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.061 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 86.78 -9.15 72.8 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.5 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 31.3 p -70.52 138.19 50.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.783 0.325 . . . . 0.0 110.878 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -179.934 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 ttt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.805 0.336 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -103.02 148.39 25.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.842 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -64.96 -29.34 70.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 85.3 mmt-85 -70.77 -49.68 44.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 30.0 m -69.47 -37.88 75.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.12 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 25.2 ttt-85 -54.95 -45.63 74.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -65.96 -41.61 91.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.77 -36.46 74.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.09 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 71.6 m -60.34 -35.61 76.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -64.51 -42.96 95.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -69.2 -48.34 62.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 78.1 mt -61.57 -44.73 99.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.116 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.8 t -57.55 -36.6 71.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.825 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -67.35 -24.18 65.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -93.69 17.98 10.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 tt -57.81 -38.26 75.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.948 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.76 -21.06 25.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.121 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -79.71 154.53 28.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.4 t -99.56 -41.29 7.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -60.79 102.94 0.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -118.23 110.46 17.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -116.05 105.32 12.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.836 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 7.3 tt -54.99 -27.38 19.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.114 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.73 -42.37 95.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.145 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.9 m -63.22 -33.26 75.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.2 t -70.03 -37.88 73.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.11 -48.72 67.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.06 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -61.56 -37.38 83.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -58.2 -34.8 70.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.803 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 34.6 m -97.64 16.85 2.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.12 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 84.8 m 51.63 38.4 22.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -140.75 162.93 34.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.1 m -81.79 160.43 63.89 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.691 0.758 . . . . 0.0 110.874 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -38.55 7.7 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.689 2.26 . . . . 0.0 112.347 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 74.3 m -64.41 -46.75 81.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.834 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 24.4 tpt180 -72.4 -44.88 61.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.0 tp -61.58 -44.4 97.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 95.7 p -60.09 -39.06 84.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -59.74 -48.66 80.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.844 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 68.4 mt -71.22 -31.88 68.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.83 -52.18 46.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.41 -27.21 64.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.904 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 11.3 tp-100 -78.02 -41.53 35.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.931 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -80.43 -39.07 28.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.9 mt -88.71 -16.37 32.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.04 10.81 53.12 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.465 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 28.5 pt -149.67 167.14 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.841 0.353 . . . . 0.0 111.134 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 t -77.45 158.96 29.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 15.8 m -54.02 -41.25 49.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.172 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.7 tp -62.41 -33.71 75.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.8 m -72.91 -48.11 39.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 76.9 t90 -65.57 -44.49 86.56 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.942 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -58.22 -47.58 83.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -66.17 -38.47 88.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -54.48 -36.27 63.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -70.36 -33.9 71.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 38.5 mtm180 -61.29 -47.18 87.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 50.4 mm -73.71 -43.15 54.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.106 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.7 t -62.01 -37.53 85.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 34.9 tp60 -71.41 -44.56 64.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.965 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.71 -45.71 77.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.079 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.2 ptmt -67.63 -32.84 73.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.8 tt -64.22 -52.26 59.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.3 pp -71.99 -37.63 69.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.917 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.7 tt -60.69 -29.0 69.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.1 t -75.0 -26.43 59.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.9 t -106.97 7.01 29.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.166 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 52.6 p -133.28 151.5 51.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.157 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 52.2 ttt-85 -109.76 18.42 20.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 27.3 mtm -68.24 158.49 84.25 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.596 0.713 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 152.99 69.12 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.7 2.267 . . . . 0.0 112.301 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 44.6 mm -55.87 -30.9 28.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.12 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.83 -47.24 72.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.088 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.4 m -70.81 -42.77 69.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 83.3 t -56.12 -40.28 63.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.117 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.67 -39.64 91.46 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.485 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 62.8 mtp180 -56.58 -32.84 65.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.82 0.343 . . . . 0.0 110.902 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -66.22 -21.87 66.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.6 m -112.3 14.14 8.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.154 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 79.32 -0.09 81.49 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.501 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 23.4 m-30 -86.5 116.87 24.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.918 0.39 . . . . 0.0 110.868 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -92.03 -31.47 15.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.847 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -89.55 118.54 29.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -62.92 -36.64 84.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.949 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 37.6 mt -68.0 -33.12 74.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.937 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -63.87 -48.54 76.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -66.71 -43.93 82.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.855 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 60.4 p -65.38 -38.59 90.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.1 mtp85 -61.87 -50.61 71.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.869 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 98.2 t -70.4 -45.2 75.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -61.48 -36.53 80.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.7 ttpt -57.7 -48.37 79.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 54.7 mttt -76.16 -25.51 55.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.8 t -57.33 -50.02 74.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.865 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 80.5 p -107.5 -9.77 15.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.173 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.89 -8.06 67.83 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.77 148.25 45.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.785 0.326 . . . . 0.0 111.127 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.99 162.47 38.1 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.676 0.75 . . . . 0.0 110.868 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -32.18 19.1 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.713 2.276 . . . . 0.0 112.35 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.1 t -67.56 -34.08 76.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -74.61 -47.72 30.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -59.46 -46.62 88.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -67.77 -30.71 70.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.838 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.88 -28.89 70.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.077 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 92.67 -9.16 76.17 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.439 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 3.5 t -84.07 137.56 33.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.822 0.344 . . . . 0.0 110.865 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 -179.882 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 ttt . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.746 0.307 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -78.93 147.69 32.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -60.82 -45.11 95.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 23.6 mmt85 -59.33 -48.77 80.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 38.5 t -64.77 -38.59 83.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.11 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -67.92 -34.96 77.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -62.33 -37.91 87.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.71 -36.32 74.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.09 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.8 t -60.2 -34.22 73.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.929 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -62.75 -43.24 99.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.925 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -69.5 -47.71 62.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.933 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 71.8 mt -61.18 -37.81 78.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.147 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 51.8 p -60.62 -42.0 95.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -67.45 -35.64 79.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.832 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -94.18 17.96 11.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.1 tp -59.93 -28.48 67.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -93.87 -20.99 19.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -61.96 144.09 55.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.9 m -87.5 -51.44 5.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -81.1 98.94 8.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.86 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -102.63 129.95 49.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -116.24 120.5 39.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.906 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.8 tt -62.64 -28.36 44.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.15 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.01 -41.4 87.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.05 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 70.2 m -62.94 -30.63 71.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 55.5 t -66.68 -48.92 78.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.125 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.3 -41.57 85.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.119 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 50.3 tp60 -62.6 -37.13 85.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -58.04 -34.86 70.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.834 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 32.6 m -96.45 16.54 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 88.0 m 51.4 38.47 21.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.4 tp -140.94 163.71 32.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.2 m -72.12 159.75 84.57 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.687 0.756 . . . . 0.0 110.85 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -39.5 6.38 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.655 2.237 . . . . 0.0 112.306 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.1 m -67.7 -46.76 71.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.8 tpm_? -63.59 -44.85 92.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.838 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.7 tp -68.17 -44.64 75.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 27.5 t -60.41 -38.15 83.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 17.2 t60 -59.62 -49.2 78.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.858 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.4 mt -71.86 -32.47 67.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.436 ' O ' ' HB2' ' A' ' 45' ' ' LEU . 0.5 OUTLIER -61.45 -50.06 74.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.44 -26.56 67.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.839 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.5 tm0? -78.65 -40.94 32.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -80.27 -39.46 28.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.436 ' HB2' ' O ' ' A' ' 41' ' ' PHE . 4.1 mm? -88.73 -16.48 32.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 67.22 8.45 50.34 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.483 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 26.9 pt -149.97 173.58 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.844 0.354 . . . . 0.0 111.131 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.0 t -77.3 153.69 33.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 30.3 t -54.19 -41.83 53.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.116 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.4 tp -61.55 -35.4 77.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.6 m -72.91 -48.02 40.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 61.8 t90 -59.94 -40.56 89.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.948 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.9 ttm-85 -58.45 -46.38 86.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -65.79 -44.63 85.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -55.69 -41.85 74.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.836 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 -67.95 -37.6 81.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 16.4 mtp180 -58.41 -41.93 86.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 50.0 mm -65.7 -44.85 93.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.1 t -66.83 -36.02 81.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.7 -43.66 83.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.81 -38.7 72.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.085 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -61.03 -39.72 90.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.9 -44.07 97.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 mt -70.13 -44.46 68.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.7 mt -67.18 -25.53 66.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 57.8 m -90.77 -26.52 19.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.6 t -94.6 -12.7 26.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.142 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.2 p -131.96 173.47 11.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.112 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.75 18.39 13.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 77.9 mtm -65.76 155.49 86.11 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.618 0.723 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 166.51 27.35 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.742 2.294 . . . . 0.0 112.335 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 34.4 mm -62.88 -31.02 50.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.15 -47.37 74.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 95.1 m -67.31 -45.9 75.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 87.8 t -56.12 -40.29 63.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.098 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.3 -43.9 89.53 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.488 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.49 -33.7 68.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.835 0.35 . . . . 0.0 110.877 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -63.16 -31.97 73.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 34.0 m -98.67 17.8 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 75.16 3.26 68.99 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.515 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -82.29 117.14 22.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.909 0.385 . . . . 0.0 110.878 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -83.56 -31.55 26.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -97.5 118.94 35.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -62.64 -40.69 97.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.49 -32.58 74.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -59.84 -47.47 85.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -61.48 -46.47 89.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 92.1 p -65.58 -36.16 82.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 72.5 mtt180 -63.5 -51.73 64.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.871 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.6 p -70.89 -40.29 76.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.153 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -66.14 -36.01 81.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -57.16 -48.54 78.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 32.9 mtpt -76.08 -25.37 55.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 39.3 t -55.67 -49.94 71.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 70.8 p -109.54 -9.97 14.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.92 -5.83 66.56 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.483 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.69 148.63 45.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.783 0.325 . . . . 0.0 111.118 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.18 162.47 39.51 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.681 0.753 . . . . 0.0 110.821 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -33.57 16.31 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.664 2.243 . . . . 0.0 112.336 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.1 m -67.25 -33.92 76.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.854 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -74.13 -47.55 35.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -58.8 -43.21 90.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 65.1 ttp85 -66.46 -36.57 83.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.834 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.95 -33.29 75.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.075 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 87.44 -9.2 74.3 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.507 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 42.7 t -71.68 130.28 40.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.737 0.303 . . . . 0.0 110.926 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.895 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 tpt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.745 0.307 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -78.91 144.59 34.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.85 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -60.1 -39.84 87.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -64.19 -46.18 85.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 80.7 t -57.48 -38.69 64.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -55.38 -45.57 76.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -64.75 -35.2 80.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.68 -36.3 73.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.111 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.8 t -60.24 -34.21 73.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -62.62 -47.07 85.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.921 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -69.49 -47.29 64.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 64.5 mt -61.32 -37.83 78.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.088 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.6 m -66.77 -44.67 80.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -66.54 -38.9 88.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -94.8 17.98 12.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.826 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.9 tp -62.48 -25.53 68.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.32 -21.03 21.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.081 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -62.59 138.63 58.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.816 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.5 m -79.67 -51.53 9.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.817 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -78.89 107.68 11.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -114.99 126.21 54.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -116.03 113.06 22.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.6 tp -55.08 -28.62 21.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.39 -42.38 95.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.085 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.0 m -62.99 -29.77 71.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.867 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 81.0 t -70.3 -39.23 76.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.152 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.2 -49.2 65.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -62.03 -36.88 82.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -57.71 -34.5 69.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.7 m -99.85 18.13 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.08 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 72.9 m 51.47 36.43 16.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.83 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -136.64 164.05 29.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.955 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.02 159.98 69.63 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.708 0.766 . . . . 0.0 110.859 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -39.3 6.59 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.707 2.272 . . . . 0.0 112.363 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.1 m -67.89 -43.84 78.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.47 -44.91 61.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.869 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.8 tp -63.39 -44.36 94.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.6 t -59.85 -38.56 82.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -59.7 -48.93 79.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 38.5 mt -71.48 -32.19 67.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.927 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.65 -52.07 49.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.0 ttp180 -70.45 -26.77 63.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? -78.14 -41.66 34.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 -80.7 -39.02 27.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.9 mt -88.66 -16.71 31.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.85 9.29 52.33 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.463 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 27.5 pt -149.96 171.25 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.837 0.351 . . . . 0.0 111.123 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 33.8 m -77.24 154.14 33.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.869 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 37.6 t -54.17 -43.57 60.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.135 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.4 mp -61.6 -36.22 80.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.4 t -72.93 -44.91 60.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 37.4 t90 -59.2 -40.87 87.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -58.29 -47.15 84.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.872 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -57.25 -46.71 82.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -54.92 -41.73 71.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -70.11 -41.23 74.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.944 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 20.5 mtp180 -58.25 -46.78 85.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 42.8 mm -71.46 -45.59 67.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.9 t -59.27 -38.93 81.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.871 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 31.7 tp60 -72.21 -44.61 62.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.76 -46.58 88.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -67.38 -33.14 74.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.933 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.1 tt -62.54 -49.01 77.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 mt -69.93 -41.25 74.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.5 mt -67.55 -25.27 65.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 58.2 m -90.42 -27.2 19.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 4.2 t -94.56 -12.51 27.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.155 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.4 p -133.32 173.8 11.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.159 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.74 18.35 15.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 77.5 mtm -62.36 155.57 66.14 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.602 0.715 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 162.52 41.7 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.724 2.282 . . . . 0.0 112.373 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 41.5 mt -63.0 -30.78 50.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.171 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.69 -47.27 78.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.13 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 96.9 m -65.12 -50.1 67.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.153 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 42.5 t -59.27 -39.69 79.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.104 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.68 -32.1 58.29 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.485 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 62.7 mtp180 -67.38 -33.52 75.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.807 0.337 . . . . 0.0 110.856 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -63.77 -31.51 72.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 16.2 m -92.95 8.45 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.088 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 78.73 4.67 88.17 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.542 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -95.9 116.6 29.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.833 0.349 . . . . 0.0 110.913 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -82.12 -31.48 30.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -85.38 118.7 25.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -62.57 -36.4 82.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 21.8 mt -68.9 -33.03 73.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.936 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -59.38 -48.44 81.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -66.73 -40.67 88.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.9 m -65.61 -37.86 87.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -62.73 -50.56 70.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 99.8 t -70.33 -46.07 72.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -61.36 -35.82 78.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 61.1 tttt -57.13 -47.89 80.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 38.6 mtpt -76.18 -25.77 55.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 16.5 m -60.41 -50.16 74.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 23.1 p -102.72 -11.61 18.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.162 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.61 -9.1 68.92 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.464 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.94 147.21 44.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.823 0.344 . . . . 0.0 111.076 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.77 162.55 35.66 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.594 0.712 . . . . 0.0 110.878 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -30.49 22.13 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.659 2.239 . . . . 0.0 112.321 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 29.9 t -67.52 -35.05 78.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.845 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.78 -47.71 29.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -61.0 -37.67 83.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.11 -42.32 94.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.39 -26.25 67.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.082 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 93.66 -9.18 73.91 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.526 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 2.0 t -69.8 127.9 34.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.815 0.34 . . . . 0.0 110.902 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 21.8 mp0 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.849 -179.845 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 ttt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.78 0.324 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.86 148.34 32.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -56.5 -45.53 80.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.09 -34.44 77.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.839 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 89.4 t -60.26 -38.45 77.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.101 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -66.8 -38.23 86.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -72.12 -34.13 68.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.85 -46.72 43.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.11 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 10.6 p -62.74 -31.28 72.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.83 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 68.2 tp60 -63.34 -37.03 85.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -69.55 -41.94 75.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 63.6 mt -61.18 -41.82 90.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.1 p -57.41 -34.16 68.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -67.26 -25.77 66.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -107.98 17.95 21.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.9 tp -54.85 -41.65 71.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.03 -21.05 31.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.093 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -81.47 131.98 35.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m -77.37 -27.74 52.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -73.9 94.6 2.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -118.11 117.87 30.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -116.04 111.57 20.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.7 tt -54.98 -26.28 17.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.36 -43.49 97.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.2 m -63.1 -31.09 72.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 20.4 t -67.3 -48.61 77.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.126 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.13 -41.25 86.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.121 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -63.0 -36.47 83.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -57.25 -33.06 67.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.2 m -100.91 18.28 3.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 66.1 m 51.2 40.87 27.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -140.96 164.36 30.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.21 160.01 78.93 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.618 0.723 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -36.56 10.67 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.707 2.272 . . . . 0.0 112.392 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 55.0 p -65.24 -44.76 87.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -67.57 -41.27 84.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.0 tp -66.11 -44.3 84.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 71.1 p -60.05 -37.17 79.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 18.8 t60 -59.7 -49.8 76.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.7 mt -72.2 -30.92 65.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -63.04 -51.78 65.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 34.1 ttt180 -70.29 -26.28 63.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.51 -42.55 35.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -80.52 -38.58 29.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.932 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.5 mt -88.4 -16.89 31.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.77 8.88 50.25 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.493 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 28.5 pt -150.18 171.33 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.798 0.332 . . . . 0.0 111.151 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.3 t -77.61 152.93 33.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.4 m -54.12 -40.26 45.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.18 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 39.0 mt -61.96 -36.05 80.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.4 m -72.99 -47.86 41.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 73.9 t90 -59.82 -47.25 86.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.924 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 33.2 ttp180 -58.3 -47.04 84.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.849 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -65.97 -44.62 84.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -54.68 -45.36 73.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -69.67 -34.94 74.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -59.22 -45.11 91.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 47.0 mm -59.24 -45.55 92.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.11 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.4 t -70.52 -31.38 68.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 50.0 tp60 -69.13 -38.93 79.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.887 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.01 -36.38 79.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.087 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.6 mtpm? -71.71 -32.35 67.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.6 -50.94 71.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.6 pp -70.43 -36.57 74.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.04 -28.81 70.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.957 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.9 t -68.63 -18.07 64.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.5 t -122.56 2.61 9.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.137 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 35.8 p -132.39 162.66 30.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.171 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.49 18.46 10.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 63.7 mtm -60.64 157.29 38.61 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.516 0.674 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 166.46 27.47 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.665 2.243 . . . . 0.0 112.324 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 51.1 mm -62.42 -30.97 50.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.139 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.65 -47.2 79.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.09 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 28.7 m -67.64 -50.08 59.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.151 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 69.5 t -57.95 -40.67 77.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.071 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.21 -32.48 60.23 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.512 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.94 -32.41 69.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.827 0.346 . . . . 0.0 110.897 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -59.92 -31.58 69.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 13.8 m -92.63 1.08 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 92.96 0.59 68.29 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.523 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -91.53 117.11 29.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.841 0.353 . . . . 0.0 110.854 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -84.59 -31.51 24.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.83 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -89.66 118.48 29.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -63.13 -39.28 94.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.7 mt -63.43 -38.13 89.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -63.68 -45.49 89.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -66.62 -45.85 77.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.855 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 11.9 t -65.52 -37.59 87.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 65.7 mtt-85 -62.94 -50.69 69.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 99.6 t -70.37 -45.72 73.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.116 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -61.48 -36.06 79.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 27.0 tttm -57.31 -44.59 84.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 23.1 mtmm -75.76 -25.56 56.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 2.9 t -56.2 -49.92 72.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 19.3 p -108.49 -9.7 15.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.117 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.97 -7.4 67.33 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.491 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.73 148.25 45.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.783 0.325 . . . . 0.0 111.09 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.14 162.45 39.35 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.658 0.742 . . . . 0.0 110.869 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -32.37 18.71 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.676 2.251 . . . . 0.0 112.383 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 30.0 t -67.46 -34.06 76.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -74.52 -47.64 31.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -60.32 -43.96 95.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -63.88 -40.59 96.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.888 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.78 -33.83 74.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.082 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 89.24 -9.09 78.24 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.465 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 5.5 t -80.5 135.8 36.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.743 0.306 . . . . 0.0 110.91 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.875 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.718 0.294 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -78.48 148.99 33.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -53.47 -29.24 34.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 34.6 mtm180 -70.61 -49.07 51.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 99.5 t -69.38 -38.41 77.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.165 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.73 -34.36 62.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -71.66 -33.65 69.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.925 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.81 -46.92 56.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.102 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 13.8 p -65.68 -31.31 72.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 49.8 tp60 -64.33 -35.86 82.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -69.49 -37.29 77.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 31.8 mt -61.51 -36.89 76.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.12 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.3 p -58.62 -36.4 74.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.822 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -67.44 -27.11 66.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 34.0 m-70 -101.84 17.87 21.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.0 tt -60.9 -29.44 69.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.949 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -93.37 -20.91 19.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.079 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.82 131.22 46.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 39.3 m -73.44 -51.47 17.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -85.96 94.28 9.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -98.51 132.13 44.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -116.06 123.31 47.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.3 tt -68.95 -22.54 26.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.159 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.47 -42.96 99.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 21.1 m -62.81 -29.5 70.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.797 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.8 t -66.57 -50.07 69.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.122 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.5 -43.74 80.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.085 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -61.99 -36.55 81.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.934 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -57.53 -34.67 69.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 16.0 m -98.83 19.0 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 2.8 t 51.4 37.78 20.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.4 mt -137.38 163.38 31.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.946 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.6 m -76.68 159.08 79.99 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.636 0.731 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -39.3 6.56 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.673 2.248 . . . . 0.0 112.377 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 83.3 p -67.58 -46.83 71.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.15 -41.45 86.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.843 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.1 tp -69.22 -44.47 71.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.923 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.3 t -59.8 -40.29 87.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 18.8 t60 -59.52 -48.74 80.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.94 -31.57 66.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -59.3 -50.38 74.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 49.8 ttt180 -68.44 -25.61 65.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 -77.95 -41.0 37.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -81.31 -39.4 25.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.33 -16.91 31.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 67.76 8.25 51.88 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.462 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 24.0 pt -149.6 172.95 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.901 0.382 . . . . 0.0 111.099 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.8 m -77.24 147.57 36.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 30.3 t -54.04 -45.03 64.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.116 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.8 mp -62.0 -33.35 74.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.8 t -73.01 -43.83 61.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 60.4 t90 -58.68 -40.9 84.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.8 tpm_? -61.36 -46.59 89.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 55.8 tt0 -62.66 -46.64 87.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -57.85 -41.58 82.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 -69.94 -38.2 76.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.964 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 31.5 mtp180 -58.29 -41.11 83.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 51.2 mm -71.42 -45.48 68.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.9 t -62.76 -37.63 87.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -71.81 -44.25 64.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.16 -46.48 82.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.086 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.08 -33.14 73.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.76 -49.53 77.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.92 -39.02 76.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.65 -25.29 66.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.1 t -90.55 -26.71 19.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.0 t -94.57 -11.44 29.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.158 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.8 p -133.09 173.66 11.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.169 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 -119.8 18.65 12.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.857 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 72.8 mtm -60.54 156.71 41.31 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.552 0.692 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 165.68 30.19 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.632 2.221 . . . . 0.0 112.352 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 33.6 mm -63.77 -31.0 51.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.86 -47.34 72.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.093 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 99.4 m -67.25 -46.59 73.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 94.3 t -56.13 -40.9 67.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -58.41 -42.52 95.78 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.514 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 45.3 mtp85 -57.84 -34.34 69.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.811 0.339 . . . . 0.0 110.877 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -61.07 -31.71 71.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 33.5 m -100.3 17.54 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 74.16 4.56 68.58 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.488 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -82.75 117.12 22.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.848 0.356 . . . . 0.0 110.923 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -83.25 -31.52 26.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -94.46 119.02 32.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -62.41 -41.06 98.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -69.2 -34.32 74.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -60.14 -41.51 92.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -66.74 -45.43 78.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 62.9 p -65.52 -38.28 89.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 29.2 mtt-85 -62.98 -50.49 70.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.93 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 85.9 t -70.21 -45.64 74.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.106 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -61.23 -37.14 81.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -25.79 67.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.957 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 40.4 mttt -78.33 -25.26 46.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.48 -41.41 18.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.1 p -94.03 -15.73 24.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.16 -9.82 68.37 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.477 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -138.89 152.99 48.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.828 0.347 . . . . 0.0 111.099 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.79 162.95 32.17 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.672 0.749 . . . . 0.0 110.862 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -32.27 19.0 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.622 2.215 . . . . 0.0 112.368 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.7 t -67.79 -34.08 76.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.856 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -74.82 -47.98 27.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -59.76 -44.48 93.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 57.6 ttt-85 -59.35 -42.08 90.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.902 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -67.14 -28.53 68.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.074 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 88.25 -9.15 76.25 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.464 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 13.9 t -69.08 138.06 54.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.777 0.323 . . . . 0.0 110.864 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.868 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.2 tpt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.763 0.316 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -78.79 145.62 34.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -64.84 -31.88 73.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -55.71 -50.07 71.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 68.0 t -70.09 -38.48 75.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -54.8 -35.67 64.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -67.63 -40.6 84.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.66 -36.28 73.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.099 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.3 t -60.16 -34.07 73.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 60.0 tp60 -61.99 -43.18 99.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -69.39 -48.47 61.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 61.6 mt -61.82 -40.44 86.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.155 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.7 t -57.35 -39.5 76.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -67.45 -26.67 66.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.906 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -108.6 18.02 21.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.7 tp -56.64 -26.17 55.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.949 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.39 -21.02 21.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -61.99 149.33 41.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.7 m -90.83 -50.94 5.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.828 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -82.19 106.51 14.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -104.77 134.08 48.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.08 118.43 32.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.3 tp -69.15 -29.86 44.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.17 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.46 -42.94 97.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.079 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.8 m -62.99 -29.79 71.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 48.1 t -70.42 -38.66 74.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.166 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.38 -49.06 65.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -61.38 -36.92 81.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -57.64 -34.93 69.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.835 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 32.6 m -97.68 16.22 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.171 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 4.6 t 51.54 36.81 17.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.2 tp -140.69 163.48 32.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.9 m -74.59 160.29 81.41 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.653 0.739 . . . . 0.0 110.854 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -39.04 6.93 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.664 2.242 . . . . 0.0 112.354 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.1 m -66.52 -46.74 75.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.4 mtm180 -66.38 -44.38 83.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.864 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 27.2 tp -66.64 -43.98 83.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 24.3 m -59.82 -38.65 82.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.831 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -59.76 -48.99 79.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 42.9 mt -71.65 -31.87 67.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.444 ' O ' ' HB2' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -63.39 -50.37 70.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.47 -27.05 66.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -79.27 -39.44 32.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 35.9 mm-40 -80.76 -40.26 25.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.444 ' HB2' ' O ' ' A' ' 41' ' ' PHE . 4.0 mm? -89.14 -16.77 30.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.945 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 69.46 5.95 52.19 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.458 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 25.0 pt -149.78 175.85 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.886 0.374 . . . . 0.0 111.13 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 83.3 p -77.17 148.72 35.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 29.9 t -54.06 -38.89 39.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.096 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.2 tp -61.15 -41.12 96.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.967 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.2 t -73.01 -42.04 63.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 66.1 t90 -59.51 -40.58 87.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.1 ttp180 -58.32 -46.68 85.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -65.87 -44.09 86.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.39 -37.78 88.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.89 -40.98 90.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 12.9 mtp180 -58.15 -46.78 85.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 47.0 mm -62.08 -45.45 98.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.099 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.4 t -61.78 -37.26 83.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -71.41 -38.19 71.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.73 -36.27 69.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.123 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -70.2 -41.09 74.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.67 -48.68 80.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.55 -39.48 81.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.947 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 11.2 mt -67.93 -25.26 65.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.3 t -90.51 -26.74 19.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.8 t -94.63 -12.64 27.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.152 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.7 p -133.04 173.71 11.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.8 18.45 12.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 73.2 mtm -61.75 156.04 57.7 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.529 0.68 . . . . 0.0 110.91 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 166.4 27.7 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.669 2.246 . . . . 0.0 112.326 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 37.9 mt -63.0 -30.88 50.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.179 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.43 -47.29 76.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 81.3 m -64.58 -50.2 68.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.191 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 48.3 t -59.68 -39.93 80.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.188 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.69 -32.17 58.39 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.426 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 67.7 mtp180 -70.42 -33.69 71.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.831 0.348 . . . . 0.0 110.862 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 48.6 m-20 -63.37 -31.64 72.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 15.9 m -90.77 13.05 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 73.53 28.49 65.45 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.492 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -122.95 116.82 24.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.81 0.338 . . . . 0.0 110.884 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -83.27 -31.55 26.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.911 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -84.11 118.06 23.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -63.51 -40.73 97.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.4 mp -67.68 -37.44 82.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.958 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -60.09 -48.6 81.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.948 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -60.92 -45.53 94.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.4 p -65.77 -36.4 83.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 46.2 mtt-85 -64.15 -51.32 64.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.3 p -70.47 -40.68 77.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.14 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -66.22 -36.16 82.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.36 -41.52 80.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.6 mtpp -75.81 -25.54 56.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 26.0 t -56.14 -49.89 72.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 30.8 p -108.74 -9.54 15.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.101 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.96 -7.04 67.2 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.71 147.13 44.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.82 0.343 . . . . 0.0 111.091 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.94 162.41 38.2 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.686 0.755 . . . . 0.0 110.853 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -31.86 19.7 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.633 2.222 . . . . 0.0 112.347 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 13.8 t -67.27 -34.47 77.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -74.65 -47.59 31.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -59.66 -44.45 93.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 12.8 ttt-85 -61.33 -35.58 77.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.46 -30.41 70.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.092 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 86.99 -9.14 73.54 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.437 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 16.5 m -89.19 121.14 31.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.786 0.327 . . . . 0.0 110.863 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 -179.879 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.1 tpp . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.765 0.317 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -78.64 146.37 34.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.859 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.38 -45.58 93.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.2 mtt85 -55.82 -48.89 74.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 46.1 t -69.19 -38.18 77.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.105 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -54.58 -34.57 62.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.79 -33.37 68.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.43 -46.7 46.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.104 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 12.3 p -63.91 -31.41 72.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.845 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.5 tp-100 -61.7 -35.78 79.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -64.7 -35.72 81.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 69.9 mt -64.82 -35.74 75.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.136 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.9 p -58.96 -43.52 91.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -60.62 -27.01 67.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.885 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 32.2 m-70 -106.81 17.96 22.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.4 tp -57.41 -26.16 60.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -92.53 -20.96 20.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.125 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -62.89 152.56 36.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.2 p -94.39 -47.68 6.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -87.01 101.29 13.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -102.39 133.17 47.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -116.0 123.38 47.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.4 tt -69.06 -28.64 40.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.179 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.34 -40.34 90.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.121 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.7 m -62.86 -29.27 70.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.2 t -70.8 -47.54 62.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.148 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.7 -49.46 62.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -60.99 -35.33 76.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.919 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -57.36 -34.64 69.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 19.5 m -100.77 21.25 2.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.114 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 61.3 m 51.47 41.23 28.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.3 mt -140.63 163.9 31.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 m -80.05 158.97 71.77 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.623 0.725 . . . . 0.0 110.876 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -38.72 7.45 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.716 2.277 . . . . 0.0 112.354 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 p -66.97 -46.84 73.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.9 mmt180 -70.01 -39.94 75.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.4 tp -68.74 -44.33 74.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.5 t -59.61 -40.33 87.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 20.5 t60 -59.27 -48.79 80.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.88 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.9 mt -72.03 -31.08 65.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -61.29 -51.16 70.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.6 ttp180 -68.6 -26.19 65.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -78.25 -38.88 41.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 37.1 mm-40 -81.99 -40.28 22.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.934 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.96 -15.0 35.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.16 9.51 48.55 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.518 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 25.1 pt -149.51 172.06 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.839 0.352 . . . . 0.0 111.117 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 14.8 m -77.11 145.9 37.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 59.9 t -53.71 -44.24 58.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.4 mp -62.11 -32.96 73.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.947 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.6 m -72.96 -45.06 60.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 59.5 t90 -58.55 -40.5 83.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 29.3 ttt85 -60.48 -47.15 87.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.853 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -65.99 -46.67 77.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -55.88 -37.65 69.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -66.0 -38.84 89.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.5 mtp180 -58.17 -46.94 84.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 44.7 mm -73.05 -39.76 57.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.1 t -60.6 -40.92 93.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.5 tm0? -71.49 -38.24 71.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.89 -36.33 82.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.074 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.1 mttm -71.41 -33.03 69.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.5 tt -67.87 -50.03 58.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.927 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.4 pp -69.44 -37.67 77.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.4 mt -64.92 -28.73 69.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.7 m -70.41 -16.18 62.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.2 t -122.68 1.55 9.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.127 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 33.6 p -133.34 161.74 33.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.48 18.28 10.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 54.9 mtm -63.6 156.82 69.58 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.544 0.687 . . . . 0.0 110.885 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 155.0 67.34 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.709 2.273 . . . . 0.0 112.353 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 57.9 mt -51.82 -30.87 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.68 -47.19 70.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.103 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 99.3 m -66.3 -40.43 89.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.156 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 97.8 t -67.78 -43.43 86.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.142 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.67 -43.52 91.43 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.454 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 20.2 mtt-85 -57.69 -34.91 69.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.817 0.341 . . . . 0.0 110.895 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -69.13 -15.52 63.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -108.14 -1.85 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.9 27.89 11.87 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.484 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -105.72 117.21 33.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.846 0.355 . . . . 0.0 110.829 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -79.42 -31.52 42.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -111.3 118.45 35.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -63.03 -32.4 73.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.932 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.18 -38.07 87.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -59.09 -48.88 79.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -53.55 -35.05 60.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.7 p -66.17 -37.5 85.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -62.87 -51.05 68.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.833 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 92.8 t -70.38 -45.59 74.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.092 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -61.48 -36.17 79.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 36.3 tttt -57.92 -48.36 80.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.2 pttp -76.01 -24.71 55.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 13.5 t -55.31 -50.25 70.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 77.1 p -111.56 -8.96 14.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.97 -6.91 67.08 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.516 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.66 154.99 49.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.835 0.35 . . . . 0.0 111.095 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.66 162.9 31.66 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.682 0.753 . . . . 0.0 110.843 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -29.39 24.26 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.714 2.276 . . . . 0.0 112.35 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 37.5 p -67.45 -33.75 75.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.826 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.33 -47.86 46.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -62.06 -43.72 98.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 22.3 tpt85 -59.24 -32.75 70.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.03 -32.89 74.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 89.24 -9.12 78.15 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.482 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 6.4 t -74.1 130.95 40.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.777 0.322 . . . . 0.0 110.859 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 -179.885 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.806 0.336 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -78.96 148.31 32.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.849 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -55.41 -43.22 75.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 42.0 mtt85 -62.04 -45.19 94.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 95.6 t -67.3 -39.01 81.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -55.05 -34.76 63.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -64.42 -36.61 84.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.55 -39.83 94.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 33.8 t -60.38 -34.96 74.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -63.66 -43.79 95.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -69.46 -46.34 66.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.9 mt -61.11 -36.53 73.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.151 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.7 p -58.51 -44.89 89.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.845 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -67.32 -31.59 71.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -94.05 17.83 11.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.2 tp -65.59 -26.99 68.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -93.37 -20.92 19.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.077 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -61.94 135.16 57.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.5 m -77.03 -51.27 11.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 48.8 m-20 -87.79 94.22 9.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -80.26 136.94 36.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -115.94 97.65 6.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 7.4 tp -57.83 -29.29 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.64 98.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.2 m -63.0 -36.45 83.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 39.3 t -63.49 -46.05 96.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.126 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.35 -45.4 76.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -61.38 -37.07 82.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.856 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -58.09 -34.77 70.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.3 m -98.68 20.05 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 3.7 t 51.3 36.73 16.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -135.78 164.17 28.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.0 159.99 61.54 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.686 0.755 . . . . 0.0 110.847 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -39.07 7.0 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.677 2.252 . . . . 0.0 112.384 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.9 t -67.33 -43.75 80.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.0 -44.2 63.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.1 tp -60.73 -44.64 96.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.4 t -60.08 -39.88 87.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 16.7 t60 -59.7 -48.72 80.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.895 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 67.2 mt -70.82 -32.1 69.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.949 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -64.14 -35.02 79.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.71 -46.81 86.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -79.95 -32.94 39.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 58.7 mm-40 -70.13 -40.56 74.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -100.76 -9.63 21.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 73.21 0.79 54.66 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.471 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 32.4 pt -150.14 177.77 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.858 0.361 . . . . 0.0 111.11 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.94 144.46 41.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.0 p -53.36 -35.51 24.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.169 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 74.1 mt -62.69 -44.47 96.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.92 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.6 t -73.12 -39.3 65.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 79.0 t90 -58.41 -40.0 81.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.19 -45.62 87.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.913 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -65.89 -42.23 90.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -57.79 -43.38 85.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 51.5 mm-40 -66.02 -34.73 78.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 31.5 mtt180 -62.07 -46.75 87.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 41.6 mm -66.13 -45.26 90.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.143 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.5 t -63.48 -37.5 87.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 49.5 tp60 -71.33 -38.74 71.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.56 -37.65 70.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.139 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 46.9 mttt -62.99 -39.78 95.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.1 tt -63.77 -45.17 90.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.2 mt -69.97 -44.18 69.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.938 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.8 mt -67.09 -25.36 66.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 57.7 m -90.8 -26.67 19.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.6 t -94.55 -12.23 27.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.144 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.9 p -132.94 173.55 11.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.158 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.54 18.32 12.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 72.1 mtm -64.16 155.78 77.71 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.601 0.715 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 166.44 27.59 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.709 2.272 . . . . 0.0 112.35 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 40.4 mt -62.25 -30.73 49.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.129 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.5 -47.26 76.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 60.8 m -65.66 -50.22 65.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.17 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 45.0 t -57.38 -39.96 71.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.159 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.65 -32.07 58.19 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.488 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 24.2 mmm-85 -70.61 -33.6 71.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.865 0.364 . . . . 0.0 110.908 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -63.34 -31.85 73.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 16.0 m -90.27 11.94 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 74.82 28.39 62.96 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.478 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -123.09 116.9 24.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.868 0.366 . . . . 0.0 110.848 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -79.85 -31.38 40.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -88.78 118.61 28.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -62.79 -40.66 98.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.933 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.41 -32.97 74.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.952 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -59.89 -48.04 83.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -66.8 -39.82 87.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.849 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 49.7 m -65.38 -36.6 84.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.3 mmm-85 -63.94 -51.19 65.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.844 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.1 p -70.6 -40.56 77.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -66.35 -35.84 81.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 53.4 tttt -57.73 -46.27 84.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.1 pttp -75.69 -24.55 56.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 23.2 t -55.35 -50.01 70.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 28.9 p -111.61 -8.59 14.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 96.21 -7.51 66.77 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.545 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.73 153.89 49.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.726 0.298 . . . . 0.0 111.111 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.29 163.13 27.15 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.639 0.733 . . . . 0.0 110.889 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -29.82 23.34 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.656 2.238 . . . . 0.0 112.338 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.3 p -67.45 -33.75 75.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.89 -47.89 49.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -58.47 -37.62 75.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -68.17 -34.32 76.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.06 -33.82 76.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.114 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 86.39 11.95 71.0 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.498 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.3 t -72.68 123.26 22.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.773 0.32 . . . . 0.0 110.908 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.908 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.742 0.306 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -82.53 148.49 28.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -56.89 -45.67 82.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.87 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.2 ttm-85 -60.26 -45.67 92.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.927 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.4 t -66.83 -38.46 81.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.75 -34.7 62.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -72.39 -33.22 67.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.16 -47.58 56.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.058 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 15.0 p -65.84 -31.64 72.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -63.68 -41.68 98.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.959 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -69.72 -44.11 70.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.933 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 51.0 mt -62.31 -38.33 80.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.099 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.3 t -62.47 -44.36 96.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -60.23 -37.88 81.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -96.86 17.93 15.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 31.7 tp -56.63 -26.24 55.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.0 -21.0 31.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -64.95 153.37 40.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.5 m -94.36 -51.01 4.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.824 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -81.17 107.9 14.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -110.71 132.42 54.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -116.05 103.93 11.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.879 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 7.3 tp -57.08 -30.14 33.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.116 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.41 -42.18 98.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.087 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 70.7 m -62.98 -34.96 78.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 91.8 t -67.2 -44.41 87.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.133 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.97 -43.8 82.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -62.11 -37.22 84.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -57.98 -34.78 70.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 32.6 m -97.0 17.06 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 4.6 t 51.48 38.82 23.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.94 163.86 31.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.931 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.63 160.28 59.2 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.745 0.784 . . . . 0.0 110.82 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -36.22 11.21 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.693 2.262 . . . . 0.0 112.318 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.0 t -67.14 -46.77 73.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.824 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.4 -44.85 61.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.7 tp -59.87 -44.26 94.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.7 t -59.68 -37.35 78.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.851 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -59.82 -50.25 74.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.833 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.7 mt -72.38 -32.32 66.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -57.61 -48.75 78.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.422 ' HA ' ' O ' ' A' ' 47' ' ' ILE . 0.4 OUTLIER -68.44 -25.32 64.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.3 tm0? -78.46 -40.48 35.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.9 mm-40 -82.03 -39.64 23.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.33 -17.88 29.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 69.94 6.13 55.13 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.493 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.422 ' O ' ' HA ' ' A' ' 42' ' ' ARG . 18.8 pt -147.23 174.42 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.847 0.356 . . . . 0.0 111.12 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.0 p -75.91 140.84 42.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.8 p -52.76 -43.39 44.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.105 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 83.1 mt -63.78 -32.65 74.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 27.4 t -73.09 -43.7 61.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 74.7 t90 -57.05 -40.51 76.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.975 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.7 ttp180 -58.33 -47.04 85.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.817 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -66.35 -38.18 87.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -66.63 -37.04 84.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -66.65 -45.0 80.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 19.4 ptt180 -70.99 -42.38 69.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.851 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 23.3 mm -66.96 -40.61 86.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.0 t -70.29 -33.48 71.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -71.5 -39.14 71.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.15 -46.85 82.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -71.68 -33.24 68.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -67.99 -50.03 58.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.7 pp -70.03 -37.81 75.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.3 mt -55.09 -29.07 56.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.6 t -74.17 -34.02 63.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.7 t -98.74 7.8 45.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.166 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 43.4 p -133.19 162.09 32.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.187 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.44 18.4 10.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 78.2 mtm -70.44 155.36 93.54 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.582 0.706 . . . . 0.0 110.85 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 153.04 69.31 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.618 2.212 . . . . 0.0 112.342 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 70.5 mt -52.47 -30.86 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.092 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.46 -47.2 73.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 99.1 m -67.59 -45.11 76.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.137 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 42.0 t -56.2 -40.54 65.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.122 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.45 -42.89 94.08 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.475 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 66.6 mtt180 -57.43 -34.1 68.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.806 0.336 . . . . 0.0 110.845 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -61.31 -31.72 71.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 33.8 m -100.27 17.85 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.151 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 75.82 2.52 70.81 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.446 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -82.4 117.14 22.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.865 0.364 . . . . 0.0 110.833 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -87.21 -31.55 20.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.92 119.07 31.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -62.49 -41.01 98.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 31.9 mt -69.07 -33.86 74.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -60.86 -40.59 93.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -66.66 -48.16 70.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 28.3 t -65.48 -37.26 86.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 43.5 mmm-85 -62.5 -51.4 67.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.824 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 89.7 t -70.84 -45.48 73.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.095 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -61.26 -35.47 77.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 63.6 tttt -56.83 -49.24 76.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 30.0 mttm -77.35 -25.71 51.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.97 -50.04 75.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.9 t -104.94 -12.1 16.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.81 -8.47 68.2 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.521 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.76 153.78 49.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.764 0.316 . . . . 0.0 111.122 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.417 ' CB ' ' HD2' ' A' ' 99' ' ' PRO . 0.6 OUTLIER -69.23 166.37 29.94 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.728 0.775 . . . . 0.0 110.826 -179.789 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.417 ' HD2' ' CB ' ' A' ' 98' ' ' SER . 53.6 Cg_endo -69.78 -36.78 10.13 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.728 2.286 . . . . 0.0 112.306 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 67.9 m -68.61 -32.73 72.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.831 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -66.85 -48.23 69.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.941 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -58.01 -46.37 85.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 -71.9 -30.58 65.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.15 -27.13 68.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 82.42 12.0 81.15 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.522 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 9.2 t -84.46 126.86 33.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.775 0.321 . . . . 0.0 110.875 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.901 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.1 ttt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.728 0.299 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.31 147.64 25.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.837 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 31.7 m120 -65.11 -28.71 69.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 33.0 mtt-85 -70.96 -49.43 45.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.817 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 31.1 m -69.16 -37.3 76.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.137 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.4 ttt-85 -54.11 -37.53 64.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -72.39 -32.98 66.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.858 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.92 -47.25 39.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.153 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 12.8 p -62.18 -31.2 71.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 28.7 tp60 -68.52 -35.5 77.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.939 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -69.36 -43.79 72.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.975 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.6 mt -61.21 -36.06 70.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.14 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.9 t -57.14 -38.53 73.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -67.31 -33.84 76.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -99.09 17.96 18.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.892 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.9 tp -55.61 -26.24 43.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.947 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.12 -20.92 21.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.073 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -62.07 139.54 58.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.5 p -81.78 -51.61 7.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -85.27 107.28 17.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.867 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -111.69 132.95 54.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -116.09 113.78 23.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.2 tt -64.13 -28.85 45.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.152 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.49 -44.96 92.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.072 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.5 m -62.97 -29.54 70.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.843 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 88.0 t -68.72 -39.12 79.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.119 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.18 -42.52 84.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.11 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -63.34 -37.16 86.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -58.02 -34.88 70.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.853 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.0 m -96.69 14.77 3.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.14 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 60.3 m 51.46 38.18 21.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 mt -140.99 162.37 35.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.1 m -80.31 160.11 68.61 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.639 0.733 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -35.58 12.45 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.65 2.233 . . . . 0.0 112.381 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.6 m -67.0 -47.14 72.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 -72.75 -38.18 67.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 25.1 tp -69.41 -39.27 78.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 84.3 p -59.23 -39.97 84.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -59.51 -48.81 80.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.832 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.0 mt -71.21 -31.2 67.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.942 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -67.81 -50.98 53.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.1 mtp180 -70.96 -27.58 63.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.859 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 20.4 tp60 -79.86 -39.96 29.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 74.7 mm-40 -80.9 -40.64 24.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.6 mt -89.44 -18.72 26.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 78.75 -2.71 67.11 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.502 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -149.41 168.94 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.814 0.34 . . . . 0.0 111.139 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.5 m -76.54 155.5 33.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.843 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 35.2 t -53.59 -39.33 37.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -54.65 -44.22 73.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.8 m -73.14 -43.76 61.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -59.15 -40.55 85.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.951 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -60.17 -47.22 86.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.05 -38.28 87.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -67.06 -36.88 83.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 35.6 mm-40 -66.72 -45.08 79.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.7 ptt180 -70.26 -41.17 73.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 26.3 mm -70.4 -32.41 50.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.126 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.5 t -66.83 -39.4 87.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.837 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 39.1 tp60 -67.27 -40.6 86.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.09 -46.11 82.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp -71.38 -32.99 69.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.1 tt -67.22 -50.08 62.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.934 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.4 pp -69.92 -37.68 76.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 14.9 mt -64.79 -28.81 69.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 28.7 t -71.04 -17.31 62.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.0 t -120.48 2.03 10.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.114 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 35.5 p -133.23 161.66 33.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.156 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.49 18.42 10.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 59.6 mtm -62.54 156.28 63.85 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.626 0.727 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 166.46 27.56 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.695 2.264 . . . . 0.0 112.334 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 37.3 mm -61.51 -30.84 49.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.69 -47.23 76.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.3 m -69.07 -47.26 65.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.123 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 86.2 t -56.18 -40.76 66.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.156 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.73 -41.69 90.58 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.457 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 69.7 mtt180 -57.54 -33.94 68.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.866 0.365 . . . . 0.0 110.89 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -63.7 -31.88 73.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 33.7 m -98.14 17.6 2.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 74.12 4.42 67.94 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.477 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -82.5 116.99 22.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.863 0.363 . . . . 0.0 110.856 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -81.74 -31.67 31.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -99.5 119.07 37.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.405 ' H ' ' NE2' ' A' ' 84' ' ' GLN . 0.0 OUTLIER -62.28 -35.1 77.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.92 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.7 mt -69.62 -35.42 75.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.95 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -60.25 -40.52 90.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -66.85 -46.08 76.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.85 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.6 p -65.49 -37.39 86.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.8 mtt-85 -62.56 -51.03 68.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 92.7 t -70.6 -45.61 73.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.145 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -61.36 -35.73 78.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 55.3 tttt -56.98 -48.49 78.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.29 -25.62 55.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 3.8 t -57.91 -50.01 74.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 47.0 p -106.17 -11.05 16.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.11 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.73 -7.36 67.94 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.47 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.65 148.49 45.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.737 0.303 . . . . 0.0 111.125 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.13 162.45 39.33 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.664 0.745 . . . . 0.0 110.841 -179.755 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -32.58 18.44 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.658 2.238 . . . . 0.0 112.313 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.9 p -67.31 -34.12 76.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.63 -47.53 31.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -60.14 -45.97 91.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 25.5 tpt85 -59.3 -40.4 86.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.854 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -67.11 -26.45 66.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 89.71 -9.2 77.99 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.516 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 35.5 t -68.37 121.07 15.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.744 0.307 . . . . 0.0 110.873 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.828 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.799 0.333 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -78.56 148.62 33.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -54.77 -32.86 60.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.0 tpp180 -70.94 -44.62 65.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 97.8 t -69.07 -39.7 79.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 -56.44 -35.19 67.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.71 -41.4 99.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.28 -36.28 74.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.058 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 66.5 m -60.24 -36.71 78.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.925 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 62.0 tp60 -61.38 -36.52 80.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -68.01 -44.07 77.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.9 mt -64.26 -36.95 78.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.123 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.4 t -66.34 -44.76 82.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -67.41 -25.33 65.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.877 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -100.49 18.05 20.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.817 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.0 tt -63.49 -26.52 68.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.53 -21.01 22.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.045 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.88 142.61 57.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.909 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.3 t -80.5 -48.35 12.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -84.49 97.6 9.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -107.77 108.58 19.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -116.85 132.98 56.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 13.3 tt -69.25 -23.14 26.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.111 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.93 -40.88 85.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.9 t -70.12 -29.59 66.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.805 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 86.7 t -68.05 -47.21 79.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.12 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.04 -40.16 96.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.083 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -63.97 -36.98 85.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -57.86 -34.59 69.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.9 m -98.49 16.11 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 87.2 m 51.52 36.63 17.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.1 tp -136.14 164.42 28.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.3 m -81.94 159.67 65.24 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.643 0.735 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 -39.09 6.85 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.626 2.217 . . . . 0.0 112.294 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.0 t -64.62 -46.82 80.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.877 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.4 tpt180 -71.54 -35.16 70.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.0 tp -68.5 -44.52 74.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 75.7 m -59.44 -39.95 85.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -59.46 -49.09 79.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.4 mt -71.85 -32.04 67.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -61.14 -50.63 72.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.427 ' HA ' ' O ' ' A' ' 47' ' ' ILE . 48.5 ttt180 -69.9 -23.88 63.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -78.78 -43.47 25.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 57.1 mm-40 -81.92 -40.46 22.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.0 -14.55 38.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.35 4.54 51.46 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.489 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.427 ' O ' ' HA ' ' A' ' 42' ' ' ARG . 28.2 pt -150.14 163.29 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.83 0.348 . . . . 0.0 111.107 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 t -74.38 146.15 43.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.7 p -54.27 -32.86 24.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.14 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.9 tp -62.79 -45.99 90.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.5 m -73.03 -38.55 66.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 43.6 t90 -58.28 -40.51 82.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.932 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -47.32 81.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -62.61 -46.31 88.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.37 -41.15 93.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.872 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -70.3 -34.98 73.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 -57.81 -47.07 83.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 50.1 mm -73.4 -45.01 53.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.142 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 60.4 m -58.54 -33.62 70.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 38.2 tp60 -70.06 -44.59 68.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.77 -36.85 73.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.27 -43.55 64.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.7 tp -57.88 -50.54 72.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.918 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.8 pp -68.95 -36.79 78.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.0 mt -59.81 -28.99 67.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 58.6 m -71.64 -26.01 62.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.6 t -110.58 5.91 21.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.155 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 44.5 p -133.27 160.47 37.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.166 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.21 18.28 10.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.879 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 53.7 mtm -68.62 153.36 95.9 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.58 0.705 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 158.06 58.2 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.704 2.269 . . . . 0.0 112.322 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 6.0 mt -51.76 -35.4 17.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.54 -47.23 86.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.091 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 90.9 m -66.61 -49.07 67.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.196 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 39.5 t -57.96 -39.99 74.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.17 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.81 -32.48 58.99 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.489 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.5 -33.36 75.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.851 0.357 . . . . 0.0 110.93 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -66.07 -31.44 72.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 15.6 m -92.32 11.45 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.124 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 76.35 3.4 76.95 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.523 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -94.89 116.57 28.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.83 0.348 . . . . 0.0 110.894 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -85.5 -26.67 26.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -87.07 118.87 26.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -62.62 -38.09 88.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -67.71 -32.98 73.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -62.12 -48.52 79.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -66.62 -43.69 84.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.928 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.8 p -64.79 -37.42 87.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.846 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 60.1 mtt180 -62.74 -50.44 71.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 88.9 t -70.22 -46.01 73.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -61.36 -36.29 79.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.63 -47.28 82.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? -75.55 -25.03 56.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.962 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 13.5 t -55.4 -49.78 71.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 40.5 p -110.74 -8.87 14.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.93 -6.49 66.94 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.462 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.63 148.45 45.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.829 0.347 . . . . 0.0 111.128 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.1 162.14 42.0 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.663 0.744 . . . . 0.0 110.826 -179.786 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -32.26 19.12 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.73 2.287 . . . . 0.0 112.34 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 54.7 p -67.28 -34.15 76.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -74.58 -47.69 31.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.925 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -65.72 -47.47 75.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.3 -30.12 70.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.53 -28.4 68.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 82.18 12.0 81.48 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.481 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 9.9 t -88.34 124.4 33.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.796 0.331 . . . . 0.0 110.841 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.942 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.73 0.3 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -79.08 148.49 32.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.828 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 30.3 m-20 -53.8 -45.43 70.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 31.0 mtm180 -59.28 -42.61 91.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.829 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.642 HG13 ' CD2' ' A' ' 41' ' ' PHE . 48.1 t -68.82 -38.64 79.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.09 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.95 -34.64 76.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -62.14 -34.66 76.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.468 ' O ' HD12 ' A' ' 12' ' ' ILE . . . -58.65 -35.88 73.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.7 t -59.64 -33.84 72.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 65.1 mm-40 -60.77 -43.64 97.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -69.55 -48.55 59.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.58 HD13 ' HZ3' ' A' ' 52' ' ' TRP . 5.8 mt -61.4 -35.95 69.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.112 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.1 t -57.28 -44.09 83.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.818 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -67.52 -34.55 77.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -95.73 17.93 14.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.7 tp -62.25 -26.43 68.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -93.48 -21.03 19.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.066 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -62.05 146.66 49.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m -88.79 -50.36 6.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -81.78 103.71 11.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -103.92 127.38 51.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -115.98 110.67 19.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.8 tt -57.16 -24.19 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.74 -44.9 90.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.13 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 72.7 m -64.2 -29.51 70.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.843 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.426 HG12 HD21 ' A' ' 37' ' ' LEU . 61.7 t -64.86 -48.01 86.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.08 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.769 ' HA ' HD22 ' A' ' 37' ' ' LEU . . . -67.56 -39.89 84.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -62.75 -37.21 85.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -57.95 -34.87 70.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.832 HG21 HD13 ' A' ' 37' ' ' LEU . 33.8 m -96.61 16.42 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 63.3 m 51.53 37.03 18.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.563 ' O ' ' HB1' ' A' ' 27' ' ' ALA . 12.0 tp -138.64 163.98 30.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.1 m -73.96 159.89 83.08 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.681 0.753 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.479 ' HA ' ' HB2' ' A' ' 27' ' ' ALA . 54.4 Cg_endo -69.71 -39.44 6.6 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.721 2.281 . . . . 0.0 112.346 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.7 m -67.57 -46.89 71.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.1 tpp180 -65.21 -43.09 92.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.857 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.832 HD13 HG21 ' A' ' 30' ' ' VAL . 13.0 tp -68.83 -44.3 73.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 83.6 p -59.9 -39.92 87.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 16.7 t60 -59.5 -48.94 79.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.0 mt -71.89 -31.46 66.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.642 ' CD2' HG13 ' A' ' 5' ' ' VAL . 0.6 OUTLIER -59.34 -50.23 74.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 27.9 ttp85 -68.5 -25.84 65.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -78.06 -40.43 38.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 41.2 mm-40 -81.48 -39.49 24.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.619 HD21 ' CD1' ' A' ' 52' ' ' TRP . 0.3 OUTLIER -88.53 -16.86 31.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.89 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 67.85 8.48 53.23 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.544 HG12 HD22 ' A' ' 45' ' ' LEU . 21.1 pt -149.36 172.34 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.835 0.35 . . . . 0.0 111.16 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 m -77.36 146.63 36.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.525 HG22 ' CD1' ' A' ' 41' ' ' PHE . 29.4 t -54.02 -40.07 44.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.114 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 34.5 mt -62.12 -37.43 85.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 18.0 t -72.81 -43.21 63.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.619 ' CD1' HD21 ' A' ' 45' ' ' LEU . 52.6 t90 -58.73 -42.49 88.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.19 -47.13 87.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -65.92 -43.54 87.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.9 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -55.16 -49.03 72.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 16.9 mm100 -66.24 -34.91 79.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 39.0 mtt180 -59.21 -45.59 90.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.592 HG23 ' HD2' ' A' ' 91' ' ' PHE . 50.9 mm -70.88 -45.26 74.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.142 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 24.2 t -59.38 -38.37 80.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.82 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -71.4 -38.45 71.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.503 ' HB2' HG11 ' A' ' 79' ' ' VAL . . . -63.72 -46.17 86.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.083 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -71.18 -33.39 69.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.1 tt -67.94 -50.11 57.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.955 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.601 HD11 HG13 ' A' ' 75' ' ' VAL . 2.5 pp -69.72 -37.74 76.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.913 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.747 HD21 HG21 ' A' ' 75' ' ' VAL . 7.0 mt -56.67 -28.97 61.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.0 p -74.46 -34.42 63.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.406 HG22 ' HA ' ' A' ' 64' ' ' LEU . 9.6 t -98.73 8.49 44.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.186 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.478 HG23 ' O ' ' A' ' 64' ' ' LEU . 48.7 p -133.31 159.43 40.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.14 18.34 10.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 61.4 mtm -73.68 155.38 89.13 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.567 0.699 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.547 ' O ' HG23 ' A' ' 75' ' ' VAL . 53.5 Cg_endo -69.75 162.43 42.1 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.693 2.262 . . . . 0.0 112.294 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 43.8 mm -57.26 -30.85 36.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.181 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.96 -47.17 78.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.078 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 45.3 m -70.41 -44.6 67.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.14 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.747 HG21 HD21 ' A' ' 65' ' ' LEU . 81.8 t -56.14 -40.6 65.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.089 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.48 ' O ' HG22 ' A' ' 79' ' ' VAL . . . -56.72 -40.79 89.46 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.514 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 26.4 mtp85 -57.74 -34.38 69.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.882 0.373 . . . . 0.0 110.862 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -62.09 -31.8 72.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.907 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.503 HG11 ' HB2' ' A' ' 61' ' ' ALA . 33.0 m -99.47 18.03 2.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.113 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 73.34 5.21 66.37 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.5 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.491 ' CD1' HG23 ' A' ' 79' ' ' VAL . 3.6 m-85 -83.15 116.95 22.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.337 . . . . 0.0 110.891 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.31 -31.47 23.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -94.16 119.23 32.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.425 ' HG3' HD22 ' A' ' 85' ' ' LEU . 5.8 pt20 -62.19 -40.77 97.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.927 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.425 HD22 ' HG3' ' A' ' 84' ' ' GLN . 4.0 mm? -68.89 -32.99 73.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -59.99 -41.7 92.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.429 ' CZ ' ' HB1' ' A' ' 61' ' ' ALA . 60.9 t80 -66.83 -45.69 77.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 77.3 p -65.46 -37.99 88.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.824 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.4 mtp180 -62.97 -50.55 70.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 88.3 t -69.94 -46.54 73.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.138 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.592 ' HD2' HG23 ' A' ' 58' ' ' ILE . 56.2 t80 -61.45 -34.94 76.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.875 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.55 -48.71 76.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.82 -25.61 56.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' CYS . . . . . 0.587 ' SG ' HG21 ' A' ' 58' ' ' ILE . 6.3 t -55.8 -49.91 71.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 70.5 p -108.72 -10.46 15.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.85 -6.11 66.91 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.467 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.61 148.96 46.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.807 0.337 . . . . 0.0 111.067 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.34 162.33 42.02 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.664 0.745 . . . . 0.0 110.835 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -32.97 17.47 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.688 2.259 . . . . 0.0 112.351 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.4 t -67.43 -33.98 76.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -74.28 -47.52 34.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -60.74 -47.15 87.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 29.8 ttt180 -62.96 -37.68 88.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.833 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.15 -26.41 63.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 81.28 11.92 82.82 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.458 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 4.4 t . . . . . 0 C--N 1.328 -0.363 0 CA-C-O 120.769 0.318 . . . . 0.0 110.867 -179.861 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.807 0.336 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -78.56 148.37 33.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.805 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -54.09 -45.44 71.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 72.5 mtm180 -61.04 -43.05 99.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.543 HG13 ' CD2' ' A' ' 41' ' ' PHE . 97.0 t -68.12 -37.82 78.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -54.4 -34.5 61.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -62.14 -38.61 89.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.416 ' HB1' ' CG1' ' A' ' 26' ' ' VAL . . . -58.97 -35.42 73.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.091 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 24.2 t -59.0 -34.02 71.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.822 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 41.4 tp60 -62.25 -45.93 91.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -69.83 -48.45 58.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 67.3 mt -61.14 -36.19 70.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.134 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.6 t -65.21 -41.81 94.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -66.82 -25.89 66.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -106.14 17.97 22.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.4 tp -58.77 -26.08 63.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -92.9 -20.98 20.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.084 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -63.25 145.35 55.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.823 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.2 p -82.08 -50.44 9.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -75.86 106.13 7.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -118.47 109.14 15.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.565 ' OD2' ' HB3' ' A' ' 24' ' ' ALA . 1.2 p-10 -116.55 132.68 56.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.85 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.3 tt -69.3 -22.78 26.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.152 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.565 ' HB3' ' OD2' ' A' ' 22' ' ' ASP . . . -58.7 -44.89 90.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.6 t -68.13 -31.34 70.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.818 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.416 ' CG1' ' HB1' ' A' ' 8' ' ' ALA . 26.2 t -69.81 -42.23 79.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.502 ' HB1' ' O ' ' A' ' 32' ' ' LEU . . . -66.82 -41.89 86.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -61.31 -37.06 81.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -57.88 -34.76 70.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.418 HG23 ' HB2' ' A' ' 32' ' ' LEU . 34.7 m -98.09 20.29 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.119 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 60.0 m 51.33 36.73 17.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.564 HD23 ' H ' ' A' ' 33' ' ' SER . 0.3 OUTLIER -136.21 164.24 28.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.963 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.564 ' H ' HD23 ' A' ' 32' ' ' LEU . 2.8 m -82.66 159.59 63.39 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.634 0.73 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -36.58 10.44 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.697 2.264 . . . . 0.0 112.329 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.4 t -66.8 -46.63 74.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.401 ' HB3' HD21 ' A' ' 32' ' ' LEU . 8.7 mmt85 -71.83 -38.63 70.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.92 -44.84 72.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.941 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.5 t -60.71 -41.22 94.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -59.41 -48.52 81.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 79.7 mt -71.42 -31.47 67.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.658 ' CD1' HG12 ' A' ' 49' ' ' VAL . 0.8 OUTLIER -57.72 -50.16 74.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.929 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -68.39 -25.29 64.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -77.97 -41.02 37.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -81.43 -39.29 25.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.663 HD21 ' CD1' ' A' ' 52' ' ' TRP . 0.2 OUTLIER -88.37 -16.93 31.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.939 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 67.96 8.06 52.13 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.465 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.533 ' CG1' HD22 ' A' ' 45' ' ' LEU . 24.7 pt -149.63 171.16 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.854 0.359 . . . . 0.0 111.136 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.31 146.44 36.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.658 HG12 ' CD1' ' A' ' 41' ' ' PHE . 27.4 m -53.93 -38.21 36.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.129 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.457 HD12 HG23 ' A' ' 49' ' ' VAL . 8.6 mp -62.7 -38.52 90.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.2 t -73.05 -42.86 62.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.663 ' CD1' HD21 ' A' ' 45' ' ' LEU . 49.9 t90 -58.63 -42.44 88.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.926 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.7 -47.18 87.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -66.12 -46.68 76.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.919 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -55.72 -44.66 77.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -69.54 -35.47 75.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.9 mtp180 -62.74 -46.17 89.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.84 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 47.6 mm -66.26 -43.95 91.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.4 t -67.75 -31.05 70.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 30.6 tp60 -68.74 -44.04 74.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.87 -43.23 85.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.087 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.7 mtpt -71.27 -33.3 69.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.942 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.4 tp -67.91 -50.05 58.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.943 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.433 HD11 HG13 ' A' ' 75' ' ' VAL . 2.3 pp -69.34 -37.47 77.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.97 HD21 HG21 ' A' ' 75' ' ' VAL . 13.3 mt -62.7 -28.73 70.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.3 t -75.44 -21.17 58.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.832 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.531 HG23 HG23 ' A' ' 68' ' ' THR . 4.6 t -110.35 0.56 18.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.103 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.531 HG23 HG23 ' A' ' 67' ' ' THR . 30.2 p -133.21 164.32 27.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.49 18.33 10.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.804 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 68.9 mtm -66.79 155.71 88.83 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.542 0.687 . . . . 0.0 110.876 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.616 ' O ' HG23 ' A' ' 75' ' ' VAL . 53.5 Cg_endo -69.77 166.39 27.78 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.679 2.252 . . . . 0.0 112.378 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.405 HG22 ' HG3' ' A' ' 84' ' ' GLN . 37.0 mt -62.7 -30.94 50.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.128 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.53 -47.19 79.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.068 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 95.7 m -70.05 -45.15 67.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.136 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.97 HG21 HD21 ' A' ' 65' ' ' LEU . 85.6 t -56.23 -40.52 65.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.116 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.494 ' O ' HG22 ' A' ' 79' ' ' VAL . . . -56.77 -44.29 91.81 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.452 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.4 mmm180 -57.71 -33.78 68.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.865 0.364 . . . . 0.0 110.865 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -61.3 -31.9 71.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.512 HG23 ' CD1' ' A' ' 81' ' ' PHE . 34.0 m -99.6 17.33 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.167 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 78.41 0.57 79.05 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.48 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.512 ' CD1' HG23 ' A' ' 79' ' ' VAL . 4.7 m-85 -83.43 117.06 22.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.875 0.369 . . . . 0.0 110.867 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -85.4 -31.48 22.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.884 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -93.11 118.49 31.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.405 ' HG3' HG22 ' A' ' 72' ' ' ILE . 40.1 tt0 -63.14 -41.21 99.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.913 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 18.5 mt -69.03 -32.61 72.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.932 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -60.03 -48.41 81.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.96 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -61.58 -46.67 88.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.4 m -65.22 -36.49 84.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 25.3 mtp85 -62.68 -51.76 65.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.917 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.7 p -71.18 -39.57 73.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -65.91 -36.04 82.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 18.1 ttpt -57.41 -48.12 79.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 33.6 mtpt -76.36 -25.55 54.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 2.2 m -59.06 -50.13 75.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 44.3 p -105.21 -10.4 17.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.63 -9.11 68.86 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.473 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.92 148.85 45.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.788 0.328 . . . . 0.0 111.151 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.09 162.74 36.41 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.672 0.748 . . . . 0.0 110.829 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -32.13 19.1 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.7 2.267 . . . . 0.0 112.335 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 48.4 t -67.41 -34.33 77.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -74.63 -47.76 30.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -58.58 -38.77 78.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.35 -37.7 86.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.67 -36.56 81.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 86.87 -9.13 73.18 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.505 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 31.5 p . . . . . 0 C--N 1.328 -0.343 0 CA-C-O 120.799 0.333 . . . . 0.0 110.884 -179.894 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 ttt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.81 0.338 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.72 148.3 22.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.855 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 26.1 t30 -64.92 -29.43 70.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -70.91 -49.78 42.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 27.5 m -69.84 -37.67 73.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.6 ttt-85 -59.09 -37.72 77.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.411 ' HB3' HG12 ' A' ' 30' ' ' VAL . 3.0 tp10 -62.22 -44.78 95.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.681 ' HB1' HG13 ' A' ' 26' ' ' VAL . . . -58.58 -35.65 72.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.131 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 94.3 m -59.6 -34.3 72.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.8 tm0? -61.32 -43.03 99.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -69.39 -44.7 70.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.973 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.6 mt -62.9 -43.72 99.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.126 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 60.2 m -58.57 -41.77 86.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -65.7 -35.54 81.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -96.73 17.92 15.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.667 HD11 ' HG3' ' A' ' 57' ' ' ARG . 14.2 tp -60.68 -27.83 68.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.942 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.66 -21.09 24.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.046 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.99 141.08 58.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.849 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.0 t -80.95 -51.06 8.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 20.1 m-20 -78.47 107.43 11.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -112.66 125.32 54.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.868 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -116.05 112.15 21.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.837 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.5 tt -55.46 -25.71 18.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.112 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.18 -42.31 94.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 65.7 m -63.01 -29.35 70.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.681 HG13 ' HB1' ' A' ' 8' ' ' ALA . 99.0 t -67.25 -50.66 61.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.157 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.772 ' HA ' HD22 ' A' ' 37' ' ' LEU . . . -67.24 -41.67 85.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.134 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -62.54 -37.13 84.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -57.99 -34.88 70.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.796 HG21 HD13 ' A' ' 37' ' ' LEU . 26.8 m -97.23 17.01 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.153 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 54.8 m 51.6 36.77 18.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.594 HD21 HH11 ' A' ' 36' ' ' ARG . 0.1 OUTLIER -137.56 164.03 29.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.899 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.36 157.74 84.4 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.675 0.75 . . . . 0.0 110.888 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.461 ' HA ' ' HB2' ' A' ' 27' ' ' ALA . 54.3 Cg_endo -69.73 -39.56 6.42 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.675 2.25 . . . . 0.0 112.35 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 72.5 m -67.65 -46.92 71.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.594 HH11 HD21 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -67.02 -41.66 86.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.906 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.796 HD13 HG21 ' A' ' 30' ' ' VAL . 11.8 tp -69.01 -44.48 72.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 86.7 p -59.97 -39.14 84.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 20.7 t60 -59.49 -49.22 78.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.8 mt -72.2 -31.95 66.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.951 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.518 ' HE2' ' HB3' ' A' ' 8' ' ' ALA . 0.7 OUTLIER -58.5 -49.92 75.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.871 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -68.25 -25.84 65.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.816 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -78.06 -40.51 38.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 -81.4 -39.44 24.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.929 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.591 HD21 ' CD1' ' A' ' 52' ' ' TRP . 0.3 OUTLIER -88.51 -16.82 31.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 67.39 9.01 53.89 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.526 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.562 HG12 HD22 ' A' ' 45' ' ' LEU . 20.2 pt -149.1 171.87 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.792 0.33 . . . . 0.0 111.149 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.3 p -77.2 149.27 35.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.2 t -54.13 -45.17 65.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.155 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.6 mp -60.71 -32.71 71.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.95 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.6 t -72.92 -45.83 55.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.591 ' CD1' HD21 ' A' ' 45' ' ' LEU . 69.7 t90 -59.08 -44.72 91.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -59.46 -47.06 86.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -65.96 -41.25 91.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -57.58 -45.68 84.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -70.16 -36.86 75.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.667 ' HG3' HD11 ' A' ' 16' ' ' LEU . 20.2 mtp180 -58.11 -46.68 85.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.627 HG21 ' SG ' ' A' ' 94' ' ' CYS . 50.1 mm -68.5 -38.42 79.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.8 p -65.21 -35.68 81.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -69.52 -39.56 77.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.475 ' O ' HD12 ' A' ' 65' ' ' LEU . . . -64.43 -46.14 84.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.12 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.591 ' HE3' HG22 ' A' ' 58' ' ' ILE . 15.4 ptpt -71.33 -33.28 69.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.403 ' C ' HD23 ' A' ' 63' ' ' LEU . 10.1 tt -67.94 -50.06 58.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.46 ' O ' HG23 ' A' ' 68' ' ' THR . 2.4 pp -69.64 -37.61 76.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.803 HD21 HG21 ' A' ' 75' ' ' VAL . 6.1 mt -57.17 -28.94 63.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.967 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.2 m -73.2 -24.65 60.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.834 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.465 HG23 HG23 ' A' ' 68' ' ' THR . 6.3 t -109.23 4.27 22.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.465 HG23 HG23 ' A' ' 67' ' ' THR . 29.5 p -133.22 162.01 32.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.146 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -122.39 18.24 10.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 56.7 mtm -68.38 153.54 95.48 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.565 0.697 . . . . 0.0 110.847 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.628 ' O ' HG23 ' A' ' 75' ' ' VAL . 54.3 Cg_endo -69.69 166.37 27.74 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.692 2.261 . . . . 0.0 112.366 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 41.8 mm -58.59 -30.96 42.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.146 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.43 -47.17 77.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.072 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.0 m -67.15 -48.46 67.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.206 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.803 HG21 HD21 ' A' ' 65' ' ' LEU . 27.8 t -56.3 -40.76 68.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.48 ' O ' HG22 ' A' ' 79' ' ' VAL . . . -56.62 -42.94 91.22 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.515 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 -57.23 -33.99 68.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.807 0.337 . . . . 0.0 110.861 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -63.53 -31.96 73.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.491 HG23 ' CD1' ' A' ' 81' ' ' PHE . 33.1 m -98.57 18.52 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.147 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 73.04 5.49 65.59 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.491 ' CD1' HG23 ' A' ' 79' ' ' VAL . 3.5 m-85 -83.24 116.93 22.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.868 0.366 . . . . 0.0 110.892 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -83.08 -31.5 27.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -95.72 119.18 33.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.919 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -62.24 -40.04 94.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 13.7 mt -68.88 -33.33 73.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -60.37 -41.55 93.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -66.66 -44.41 81.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.9 p -65.6 -37.41 86.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 16.5 mtp180 -62.97 -50.98 68.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 95.4 t -70.46 -45.7 73.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.557 ' CD2' HG23 ' A' ' 58' ' ' ILE . 34.1 t80 -61.44 -35.57 77.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.5 ttpt -56.82 -44.53 82.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -76.09 -25.68 55.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' CYS . . . . . 0.627 ' SG ' HG21 ' A' ' 58' ' ' ILE . 36.1 t -59.43 -49.99 75.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 35.3 p -104.2 -10.95 17.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.16 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.67 -9.03 68.79 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.481 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.8 148.29 45.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.757 0.313 . . . . 0.0 111.113 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.85 162.58 35.91 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.688 0.756 . . . . 0.0 110.819 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -32.05 19.22 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.704 2.269 . . . . 0.0 112.335 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 55.1 p -67.51 -34.19 76.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -74.69 -47.7 30.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -58.53 -40.4 82.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.907 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 40.5 ttt180 -59.53 -39.13 82.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.24 -27.29 67.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.024 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 87.1 11.88 69.01 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.499 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 4.1 t . . . . . 0 C--N 1.328 -0.356 0 CA-C-O 120.784 0.326 . . . . 0.0 110.882 -179.888 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.78 0.324 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.594 ' HB3' HG23 ' A' ' 5' ' ' VAL . 1.1 t70 -78.66 148.61 33.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -53.82 -45.16 70.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -70.36 -41.08 73.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.832 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.638 HG13 ' CE2' ' A' ' 41' ' ' PHE . 96.6 t -62.65 -38.61 82.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.58 -37.71 88.37 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.893 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -62.37 -34.02 75.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.35 -35.3 77.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.074 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 33.7 t -59.13 -34.22 71.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -65.43 -45.28 84.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -69.63 -48.54 59.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.467 HG23 ' NH1' ' A' ' 53' ' ' ARG . 11.0 mt -61.26 -40.87 87.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.161 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.8 t -57.0 -43.41 81.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -67.4 -21.95 65.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -101.33 17.86 21.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.3 tt -60.04 -30.88 69.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.977 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -93.35 -21.02 19.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.097 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.96 151.1 35.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.3 m -97.9 -51.27 4.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.858 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -78.2 105.74 9.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.945 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -111.75 124.64 52.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.83 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -116.0 111.59 20.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 12.3 tt -54.94 -26.27 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.161 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.91 -42.71 98.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.088 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.9 m -63.0 -30.63 71.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 63.3 t -70.15 -37.79 72.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.049 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.598 ' HB1' ' O ' ' A' ' 32' ' ' LEU . . . -67.44 -48.72 66.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -61.73 -37.14 83.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -57.85 -34.81 70.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.643 HG21 HD13 ' A' ' 37' ' ' LEU . 32.2 m -97.46 14.43 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.156 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 41.7 m 51.54 36.47 17.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.598 ' O ' ' HB1' ' A' ' 27' ' ' ALA . 10.7 tp -141.17 158.73 43.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.1 158.63 86.95 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.706 0.765 . . . . 0.0 110.851 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -39.6 6.3 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.703 2.269 . . . . 0.0 112.353 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 40.7 t -67.77 -46.84 70.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.7 tpp180 -68.76 -40.71 79.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.643 HD13 HG21 ' A' ' 30' ' ' VAL . 23.8 tp -68.79 -44.46 73.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.6 m -59.86 -39.25 84.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -59.65 -49.1 79.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.849 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 30.2 mt -72.02 -31.58 66.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.953 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.638 ' CE2' HG13 ' A' ' 5' ' ' VAL . 0.6 OUTLIER -59.73 -50.39 74.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -68.5 -25.62 65.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 11.1 tp60 -78.16 -40.74 36.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 59.0 mm-40 -81.48 -39.45 24.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.646 HD21 ' CD1' ' A' ' 52' ' ' TRP . 0.3 OUTLIER -88.46 -17.09 31.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.0 8.18 52.78 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.455 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.578 HG12 HD22 ' A' ' 45' ' ' LEU . 21.8 pt -149.29 173.35 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.819 0.342 . . . . 0.0 111.15 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.3 m -77.37 146.92 36.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.526 HG22 ' CD1' ' A' ' 41' ' ' PHE . 29.5 t -54.02 -43.69 59.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.11 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.487 HD13 ' O ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -61.95 -33.74 74.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 29.3 m -72.95 -44.56 61.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.646 ' CD1' HD21 ' A' ' 45' ' ' LEU . 65.2 t90 -58.72 -42.04 87.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.467 ' NH1' HG23 ' A' ' 12' ' ' ILE . 4.8 ttt85 -58.19 -47.22 84.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.878 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -66.15 -39.54 89.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -66.73 -35.02 79.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -67.35 -45.31 76.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -71.12 -43.34 67.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 24.4 mm -65.24 -42.19 93.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.104 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 30.7 t -70.54 -31.85 69.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.827 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -70.71 -38.64 73.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.59 ' HB2' ' CG1' ' A' ' 79' ' ' VAL . . . -68.13 -45.89 72.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.088 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -71.84 -32.8 67.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.8 tt -58.13 -50.94 71.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.937 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.523 HD12 ' OG1' ' A' ' 68' ' ' THR . 1.6 pp -70.47 -36.57 73.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.664 HD12 HG11 ' A' ' 75' ' ' VAL . 0.3 OUTLIER -55.85 -28.89 58.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.951 179.862 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.5 t -71.93 -31.98 66.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.452 HG23 HG23 ' A' ' 68' ' ' THR . 7.3 t -102.83 6.06 39.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.148 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.523 ' OG1' HD12 ' A' ' 64' ' ' LEU . 46.1 p -133.36 168.13 19.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.39 18.23 10.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 66.7 mtm -68.49 153.54 95.57 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.586 0.707 . . . . 0.0 110.862 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.618 ' O ' HG23 ' A' ' 75' ' ' VAL . 53.8 Cg_endo -69.81 166.19 28.48 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.668 2.245 . . . . 0.0 112.355 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 39.8 mt -62.19 -30.92 49.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.096 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.38 -47.22 80.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.073 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 96.7 m -65.76 -48.91 70.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.171 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.664 HG11 HD12 ' A' ' 65' ' ' LEU . 35.3 t -56.18 -40.51 65.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.469 ' O ' HG22 ' A' ' 79' ' ' VAL . . . -59.07 -40.83 96.09 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.485 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -57.05 -34.14 67.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.847 0.356 . . . . 0.0 110.886 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -62.61 -31.69 72.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.59 ' CG1' ' HB2' ' A' ' 61' ' ' ALA . 33.7 m -99.77 18.74 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 73.12 5.17 65.15 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.459 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.483 ' CD1' HG23 ' A' ' 79' ' ' VAL . 3.3 m-85 -82.59 116.88 22.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.83 0.348 . . . . 0.0 110.862 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -88.84 -31.64 18.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -93.1 119.24 32.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.895 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -61.15 -40.71 94.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.96 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 20.4 mt -66.6 -33.09 74.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.935 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -61.13 -42.59 98.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -65.59 -46.65 78.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.847 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.7 m -65.55 -37.44 86.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -62.68 -51.08 68.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 92.3 t -70.59 -45.49 74.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.149 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -61.32 -35.93 78.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 59.1 tttt -57.21 -47.99 79.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.3 mtpm? -76.16 -25.65 55.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 2.2 m -59.61 -50.01 75.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 48.7 p -104.0 -11.18 17.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.179 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.66 -9.03 68.81 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.485 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.85 148.45 45.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.787 0.327 . . . . 0.0 111.131 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.01 162.6 37.08 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.662 0.744 . . . . 0.0 110.838 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -32.03 19.47 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.718 2.279 . . . . 0.0 112.323 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.1 m -67.51 -34.17 76.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -74.62 -47.71 30.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -61.76 -45.47 93.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 62.0 ttp85 -63.99 -30.52 71.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -77.02 -35.49 56.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.055 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 86.91 11.93 69.44 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.55 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 7.1 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 0.0 110.867 -179.864 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.779 0.323 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -78.8 148.26 32.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.842 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 26.3 m120 -53.96 -45.34 71.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 48.8 mtm180 -66.25 -47.48 73.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.579 HG13 ' CD2' ' A' ' 41' ' ' PHE . 77.9 t -59.82 -39.34 79.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -34.81 78.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -62.29 -47.41 84.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.877 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.516 ' HB3' ' HE2' ' A' ' 41' ' ' PHE . . . -59.34 -35.94 74.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.177 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 89.4 m -59.9 -35.73 75.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 20.7 tp60 -62.23 -40.33 95.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -69.46 -45.89 67.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 60.3 mt -63.25 -35.98 74.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.09 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.2 p -66.34 -43.36 86.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.33 -30.09 69.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -95.75 17.91 14.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.601 HD11 ' HG3' ' A' ' 57' ' ' ARG . 6.4 tp -62.23 -25.44 67.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.56 -21.01 21.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -62.66 146.09 52.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.3 t -86.21 -50.81 6.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.856 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -81.38 108.28 14.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -110.23 117.68 34.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.938 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -116.03 116.42 27.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.9 tt -58.06 -24.53 24.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.5 -45.03 92.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.058 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 81.3 p -63.8 -29.51 70.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.839 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 99.1 t -65.61 -49.18 79.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.14 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.714 ' HA ' HD22 ' A' ' 37' ' ' LEU . . . -67.39 -34.99 78.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.078 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 56.0 tp60 -64.83 -37.23 86.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.931 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -60.95 -34.76 75.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.808 HG21 HD13 ' A' ' 37' ' ' LEU . 26.9 m -93.73 13.04 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.167 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 60.2 m 51.43 38.36 21.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.605 ' HB2' HG23 ' A' ' 30' ' ' VAL . 7.3 mt -140.99 164.2 30.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.7 m -71.76 157.72 89.15 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.65 0.738 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.469 ' HA ' ' HB2' ' A' ' 27' ' ' ALA . 53.7 Cg_endo -69.79 -39.42 6.47 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.668 2.245 . . . . 0.0 112.36 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.0 m -67.6 -46.77 71.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -65.7 -42.94 90.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.851 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.808 HD13 HG21 ' A' ' 30' ' ' VAL . 14.3 tp -68.82 -44.58 73.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 30.5 t -60.16 -39.11 85.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.833 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 16.3 t60 -59.48 -49.34 78.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.816 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 73.8 mt -72.2 -32.06 66.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.579 ' CD2' HG13 ' A' ' 5' ' ' VAL . 0.7 OUTLIER -57.61 -49.84 75.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -68.1 -25.66 65.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.866 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -77.94 -40.35 39.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 70.5 mm-40 -81.46 -39.41 24.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.638 HD21 ' CD1' ' A' ' 52' ' ' TRP . 0.2 OUTLIER -88.52 -17.1 31.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 -179.916 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 67.84 8.86 54.77 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.472 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.563 HG12 HD22 ' A' ' 45' ' ' LEU . 19.9 pt -149.06 172.67 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.861 0.362 . . . . 0.0 111.113 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.5 p -77.36 147.87 35.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.406 HG22 ' CD1' ' A' ' 41' ' ' PHE . 42.5 t -53.95 -43.67 58.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.109 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.5 mp -61.71 -33.86 74.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 30.2 t -72.88 -44.85 60.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.638 ' CD1' HD21 ' A' ' 45' ' ' LEU . 48.3 t90 -58.88 -41.18 86.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 36.0 ttp180 -61.13 -47.18 87.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -65.94 -46.74 77.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.04 -37.58 85.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -66.15 -39.12 89.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.949 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.601 ' HG3' HD11 ' A' ' 16' ' ' LEU . 10.3 mtp85 -59.34 -43.0 92.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.603 HG23 ' HD2' ' A' ' 91' ' ' PHE . 49.9 mm -67.88 -44.14 85.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.158 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.1 t -67.01 -31.03 71.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.2 tp60 -71.04 -44.29 66.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.713 ' HA ' HD12 ' A' ' 64' ' ' LEU . . . -56.81 -36.34 69.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.094 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.529 ' NZ ' HG22 ' A' ' 58' ' ' ILE . 37.0 mttp -61.81 -40.3 94.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.913 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 50.9 tp -62.62 -43.18 99.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.926 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.713 HD12 ' HA ' ' A' ' 61' ' ' ALA . 1.1 mt -70.12 -44.17 69.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.417 ' HG ' HG21 ' A' ' 75' ' ' VAL . 3.1 mt -67.44 -25.46 65.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 26.8 t -90.77 -26.5 19.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.688 HG22 ' HA ' ' A' ' 64' ' ' LEU . 3.7 t -94.57 -12.89 26.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.164 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.614 HG23 HG23 ' A' ' 67' ' ' THR . 4.1 p -131.96 173.58 11.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.152 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.74 18.38 12.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 71.3 mtm -65.09 153.72 88.47 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.553 0.692 . . . . 0.0 110.887 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.69 ' O ' HG23 ' A' ' 75' ' ' VAL . 53.3 Cg_endo -69.8 163.69 37.37 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.677 2.252 . . . . 0.0 112.306 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.448 HG22 ' HG3' ' A' ' 84' ' ' GLN . 47.8 mt -58.69 -30.94 43.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.17 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.35 -47.23 80.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.087 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 93.0 m -71.48 -40.5 70.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.132 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.69 HG23 ' O ' ' A' ' 71' ' ' PRO . 94.7 t -56.12 -40.68 65.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.118 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.472 ' O ' HG22 ' A' ' 79' ' ' VAL . . . -56.86 -40.16 89.49 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.485 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 64.2 mtt180 -58.67 -34.35 71.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -61.56 -31.88 71.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.531 HG11 ' HB2' ' A' ' 61' ' ' ALA . 33.4 m -99.35 17.32 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.144 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 73.82 4.83 67.7 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.485 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.48 ' CD1' HG23 ' A' ' 79' ' ' VAL . 3.5 m-85 -82.83 117.05 22.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.862 0.363 . . . . 0.0 110.889 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -82.62 -31.51 28.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -96.65 119.13 34.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.914 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.448 ' HG3' HG22 ' A' ' 72' ' ' ILE . 8.3 tt0 -62.41 -40.77 97.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.901 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 80.2 mt -66.38 -32.92 74.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -63.26 -42.6 99.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -66.69 -48.04 70.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 65.1 p -65.47 -37.31 86.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 36.0 mmm-85 -63.16 -51.04 68.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 85.9 t -70.57 -46.06 71.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.091 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.603 ' HD2' HG23 ' A' ' 58' ' ' ILE . 44.6 t80 -61.24 -35.84 78.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.21 -30.81 64.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.95 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -76.64 -25.41 53.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' CYS . . . . . 0.401 ' SG ' HG21 ' A' ' 58' ' ' ILE . 43.3 t -63.55 -50.53 69.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.857 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 27.5 p -99.55 -12.62 19.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.27 -9.84 69.61 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.48 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -138.45 152.64 48.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 0.0 111.094 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.9 163.57 21.87 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.649 0.738 . . . . 0.0 110.854 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -27.01 27.35 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.689 2.26 . . . . 0.0 112.389 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.1 p -67.48 -33.65 75.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.17 -47.99 32.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.891 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -59.59 -42.04 91.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 33.0 ttp85 -58.17 -33.67 69.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -67.16 -31.23 71.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.073 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 82.39 11.99 81.21 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.487 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 4.6 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 120.754 0.311 . . . . 0.0 110.864 -179.88 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.763 0.316 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -78.65 148.43 33.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -53.89 -39.38 65.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.03 -47.0 66.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.615 HG13 ' CE2' ' A' ' 41' ' ' PHE . 88.5 t -63.04 -38.8 83.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.23 -39.79 87.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -63.21 -37.62 87.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.566 ' HB1' HG13 ' A' ' 26' ' ' VAL . . . -58.7 -36.26 73.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.079 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 69.3 m -60.01 -34.27 73.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -60.93 -42.24 97.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -69.41 -44.67 70.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.3 mt -61.41 -37.38 77.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.118 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.7 p -63.36 -36.84 85.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.82 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -67.95 -18.61 64.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -110.92 17.99 19.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.605 HD13 ' O ' ' A' ' 16' ' ' LEU . 0.8 OUTLIER -52.79 -39.14 62.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.33 -20.94 43.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -62.11 154.34 27.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.1 m -101.1 -50.29 3.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -83.8 108.13 16.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.464 ' CZ ' HG21 ' A' ' 26' ' ' VAL . 14.1 t80 -90.46 134.61 34.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -116.0 103.38 10.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.7 tp -61.79 -26.39 39.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.13 -44.85 96.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.9 m -64.92 -29.49 70.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.839 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.566 HG13 ' HB1' ' A' ' 8' ' ' ALA . 62.6 t -66.18 -51.88 54.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.139 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.65 ' HA ' HD13 ' A' ' 37' ' ' LEU . . . -67.73 -44.55 77.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.109 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -61.24 -36.04 78.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -56.72 -34.73 67.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.419 HG23 ' HB2' ' A' ' 32' ' ' LEU . 32.8 m -98.94 22.01 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 54.6 m 51.62 36.58 17.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.529 HD23 ' H ' ' A' ' 33' ' ' SER . 0.4 OUTLIER -135.17 164.24 28.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.918 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.529 ' H ' HD23 ' A' ' 32' ' ' LEU . 4.4 m -79.68 157.87 73.96 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.655 0.74 . . . . 0.0 110.859 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.481 ' HA ' ' HB2' ' A' ' 27' ' ' ALA . 53.7 Cg_endo -69.78 -38.56 7.6 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.702 2.268 . . . . 0.0 112.309 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.2 t -66.88 -46.9 73.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.406 ' HB3' HD21 ' A' ' 32' ' ' LEU . 19.3 mmt180 -70.33 -39.11 74.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.65 HD13 ' HA ' ' A' ' 27' ' ' ALA . 0.3 OUTLIER -69.41 -44.46 71.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.2 t -59.84 -39.95 86.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.887 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -59.5 -48.91 79.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.821 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 77.8 mt -71.94 -31.74 66.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.615 ' CE2' HG13 ' A' ' 5' ' ' VAL . 0.6 OUTLIER -59.2 -50.32 74.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 24.0 ttp180 -68.38 -25.73 65.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -78.03 -40.55 38.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -81.42 -39.48 24.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.651 HD21 ' CD1' ' A' ' 52' ' ' TRP . 0.3 OUTLIER -88.39 -17.01 31.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.96 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.02 8.12 52.67 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.52 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.568 HG12 HD22 ' A' ' 45' ' ' LEU . 19.8 pt -149.13 172.73 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.804 0.335 . . . . 0.0 111.114 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.1 t -77.37 149.38 35.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.1 t -54.46 -44.8 69.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.128 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 75.9 mt -61.72 -32.22 72.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 47.3 t -72.76 -45.8 56.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.651 ' CD1' HD21 ' A' ' 45' ' ' LEU . 57.3 t90 -59.12 -40.54 85.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.8 ttt85 -60.69 -46.39 90.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -65.74 -46.7 77.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.84 -37.61 87.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -67.65 -34.61 77.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.3 mtp85 -57.52 -46.73 83.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.833 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.43 HG23 ' HD2' ' A' ' 91' ' ' PHE . 2.0 mp -70.94 -44.97 75.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.175 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.2 t -56.36 -38.35 71.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.0 tp60 -71.79 -43.09 66.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.93 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.687 ' HB2' HG11 ' A' ' 79' ' ' VAL . . . -61.5 -35.45 77.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -66.31 -33.02 74.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.8 tt -64.54 -52.41 57.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.956 HD11 HG13 ' A' ' 75' ' ' VAL . 2.2 pp -72.04 -37.47 69.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.886 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.789 HD12 HG21 ' A' ' 75' ' ' VAL . 0.6 OUTLIER -64.96 -28.9 69.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.8 t -75.94 -21.86 56.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.537 HG23 HG23 ' A' ' 68' ' ' THR . 5.2 t -108.99 0.22 19.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.153 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.537 HG23 HG23 ' A' ' 67' ' ' THR . 33.3 p -131.67 146.39 52.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -104.67 18.32 22.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 47.9 mtm -63.5 158.56 57.73 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.539 0.685 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 152.43 69.41 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.669 2.246 . . . . 0.0 112.361 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 66.1 mt -51.74 -30.96 12.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.34 -47.01 80.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.057 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 86.0 m -67.32 -50.24 60.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.176 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.956 HG13 HD11 ' A' ' 64' ' ' LEU . 33.6 t -60.44 -41.01 85.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.86 -32.41 62.11 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.509 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -70.52 -32.12 69.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.822 0.344 . . . . 0.0 110.87 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -59.36 -31.16 68.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.687 HG11 ' HB2' ' A' ' 61' ' ' ALA . 11.9 m -94.29 1.0 10.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.87 0.14 66.61 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.431 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -90.25 117.0 28.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.862 0.363 . . . . 0.0 110.892 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -86.6 -31.45 21.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.843 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -86.3 118.98 26.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -62.45 -38.35 89.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -68.89 -34.73 75.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -60.16 -47.92 83.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -63.37 -42.33 98.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.869 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.8 p -65.4 -37.7 87.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 62.8 mtm180 -62.94 -50.61 70.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.832 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 88.9 t -70.29 -45.89 73.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.154 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.43 ' HD2' HG23 ' A' ' 58' ' ' ILE . 42.2 t80 -61.37 -36.09 79.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.31 -48.26 79.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 50.4 mttm -76.26 -25.66 55.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 4.5 m -59.37 -50.02 75.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 68.3 p -104.33 -10.97 17.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.148 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.69 -9.07 68.72 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.506 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.84 148.24 45.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.777 0.322 . . . . 0.0 111.105 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.97 162.56 37.11 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.675 0.75 . . . . 0.0 110.875 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -31.82 19.87 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.729 2.286 . . . . 0.0 112.336 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.5 m -67.53 -34.21 76.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -74.7 -47.71 30.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -59.84 -42.41 93.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 30.1 ttt180 -68.31 -33.07 73.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -77.19 -25.2 51.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 83.67 11.98 78.63 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.532 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 43.5 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.758 0.313 . . . . 0.0 110.919 -179.896 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.775 0.321 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.507 ' OD2' HG23 ' A' ' 5' ' ' VAL . 6.6 p-10 -78.71 149.16 32.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -53.48 -27.29 24.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.3 mtp180 -68.4 -50.21 54.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.614 HG13 ' CE2' ' A' ' 41' ' ' PHE . 67.8 t -70.2 -38.57 75.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -54.78 -42.09 71.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.941 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -62.93 -47.14 84.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.464 ' HB1' HG13 ' A' ' 26' ' ' VAL . . . -58.64 -35.71 72.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.092 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 23.3 m -59.6 -36.8 76.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -64.72 -36.86 85.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -67.86 -41.4 82.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.7 mt -61.2 -36.64 74.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.116 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.4 t -57.65 -34.49 69.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -67.26 -34.54 77.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.917 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 -93.7 17.88 11.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.664 HD11 ' HG3' ' A' ' 57' ' ' ARG . 5.1 tp -60.7 -31.37 70.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -93.95 -20.98 19.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.103 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -63.59 144.53 56.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.1 m -86.4 -51.3 6.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.825 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 66.1 m-80 -87.16 100.72 12.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.54 ' HZ ' HG21 ' A' ' 26' ' ' VAL . 41.0 t80 -88.06 136.49 32.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.07 95.25 5.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.1 tp -57.02 -23.74 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.159 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.68 -45.0 95.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.098 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.6 m -63.77 -29.37 70.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.543 HG12 HD21 ' A' ' 37' ' ' LEU . 76.5 t -65.66 -49.28 78.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.152 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.82 ' HA ' HD22 ' A' ' 37' ' ' LEU . . . -67.86 -41.9 82.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.072 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 51.4 tp60 -62.05 -37.16 83.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -57.93 -34.88 70.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.843 HG21 HD13 ' A' ' 37' ' ' LEU . 26.9 m -97.55 19.07 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.095 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 57.5 m 51.44 36.8 17.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.513 ' O ' ' HB1' ' A' ' 27' ' ' ALA . 18.3 tp -136.41 164.18 28.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.9 m -78.18 159.3 75.74 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.65 0.738 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.434 ' HA ' ' HB2' ' A' ' 27' ' ' ALA . 53.8 Cg_endo -69.79 -39.13 6.81 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.68 2.254 . . . . 0.0 112.359 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 63.1 m -67.37 -46.62 72.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 -68.53 -40.99 80.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.847 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.843 HD13 HG21 ' A' ' 30' ' ' VAL . 8.3 tp -68.87 -44.34 73.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 86.6 p -59.91 -40.4 88.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.828 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 16.9 t60 -59.55 -48.76 80.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.831 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 72.7 mt -71.68 -31.5 66.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.614 ' CE2' HG13 ' A' ' 5' ' ' VAL . 0.6 OUTLIER -59.12 -50.51 73.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -68.64 -25.48 64.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -77.92 -40.99 37.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.933 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -81.54 -39.39 24.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.631 HD21 ' CD1' ' A' ' 52' ' ' TRP . 0.3 OUTLIER -88.3 -16.95 31.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 67.7 8.05 50.73 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.514 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.561 HG12 HD22 ' A' ' 45' ' ' LEU . 24.1 pt -149.66 173.48 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.83 0.347 . . . . 0.0 111.148 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.3 p -77.52 147.03 36.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.577 HG22 ' CD1' ' A' ' 41' ' ' PHE . 28.9 t -53.99 -44.04 60.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.126 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.574 HD23 HH22 ' A' ' 53' ' ' ARG . 1.6 mt -62.11 -34.25 75.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.8 t -72.86 -43.54 62.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.631 ' CD1' HD21 ' A' ' 45' ' ' LEU . 44.8 t90 -58.62 -40.35 83.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.574 HH22 HD23 ' A' ' 50' ' ' LEU . 9.6 ttm105 -61.01 -46.98 88.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 58.4 tt0 -65.89 -45.68 81.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.842 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -61.81 -39.78 92.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -68.34 -35.21 77.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.945 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.664 ' HG3' HD11 ' A' ' 16' ' ' LEU . 85.3 mtt180 -58.68 -44.98 90.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 37.7 mm -64.32 -39.88 87.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.8 t -56.81 -43.19 80.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 29.0 tp60 -71.17 -38.29 72.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.93 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.05 -46.12 89.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.084 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -71.23 -33.25 69.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.403 HD13 ' O ' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -67.92 -50.13 57.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.92 179.887 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.416 HD11 HG13 ' A' ' 75' ' ' VAL . 2.5 pp -70.0 -37.66 75.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.885 HD21 HG21 ' A' ' 75' ' ' VAL . 11.0 mt -56.22 -29.03 60.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.5 m -73.26 -32.08 64.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.419 HG23 HG23 ' A' ' 68' ' ' THR . 8.2 t -101.52 6.86 42.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.15 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.419 HG23 HG23 ' A' ' 67' ' ' THR . 60.9 p -133.27 160.22 37.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.175 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.46 18.44 10.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.843 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 50.2 mtm -70.39 156.3 92.1 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.555 0.693 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 164.13 35.71 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.706 2.271 . . . . 0.0 112.343 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.434 HG22 ' HG3' ' A' ' 84' ' ' GLN . 63.7 mt -59.5 -30.89 45.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.105 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.47 -47.18 76.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.067 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 89.8 m -66.88 -50.14 63.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.885 HG21 HD21 ' A' ' 65' ' ' LEU . 64.7 t -56.32 -40.6 67.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.131 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.37 -32.53 60.76 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.487 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -70.82 -32.69 69.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.856 0.36 . . . . 0.0 110.911 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -60.23 -31.52 70.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 15.5 m -92.76 1.16 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.153 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 91.44 0.87 72.47 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.449 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -91.74 116.96 29.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.87 0.367 . . . . 0.0 110.905 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -82.42 -31.36 29.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.834 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -85.81 118.92 25.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.434 ' HG3' HG22 ' A' ' 72' ' ' ILE . 6.6 tt0 -62.59 -37.28 85.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 60.2 mt -68.12 -33.0 73.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -60.02 -47.68 84.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -66.25 -37.42 85.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 71.9 m -65.59 -37.26 86.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 62.6 mtp180 -63.99 -50.56 68.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 65.8 t -70.26 -42.99 78.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -64.39 -36.28 83.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 42.3 tttp -58.13 -47.34 83.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 11.3 pttt -75.52 -24.99 56.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 49.2 t -55.78 -49.91 71.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.847 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 23.4 p -110.05 -9.19 14.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 96.06 -6.51 66.6 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.516 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.75 147.64 44.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.815 0.341 . . . . 0.0 111.118 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.11 162.25 41.03 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.678 0.752 . . . . 0.0 110.857 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -31.82 19.83 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.651 2.234 . . . . 0.0 112.293 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.8 p -67.42 -34.31 76.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -74.72 -47.59 30.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.867 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -58.53 -37.86 76.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -41.18 91.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.869 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -74.88 -27.57 60.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.093 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 86.13 11.95 71.81 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.674 -0.775 . . . . 0.0 112.498 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 8.3 t . . . . . 0 C--N 1.328 -0.362 0 CA-C-O 120.725 0.298 . . . . 0.0 110.882 -179.865 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.767 0.318 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.469 ' HB3' HG23 ' A' ' 5' ' ' VAL . 2.9 t0 -78.79 148.58 32.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 70.5 m-20 -53.77 -44.4 70.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 22.6 mtm180 -70.81 -41.13 71.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.601 HG13 ' CE2' ' A' ' 41' ' ' PHE . 96.2 t -63.01 -39.09 83.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.157 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -38.43 77.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.72 -38.51 90.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.51 -35.44 72.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.07 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 21.4 t -59.42 -34.25 72.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.885 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 28.3 mm100 -65.42 -43.35 90.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.411 ' HD2' HG22 ' A' ' 26' ' ' VAL . 71.5 t80 -69.57 -48.63 59.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.946 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 66.1 mt -62.27 -41.85 93.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.149 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.5 t -62.93 -41.48 99.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.61 -30.22 70.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.903 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -99.08 17.83 18.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.646 HD12 ' HE ' ' A' ' 53' ' ' ARG . 29.0 tp -57.59 -25.2 59.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.939 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.04 -21.0 47.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.077 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -69.5 152.6 44.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 45.3 t -96.06 -51.11 4.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -82.37 108.89 16.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -82.0 134.07 35.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -115.99 95.08 4.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.859 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.6 tt -61.95 -25.78 38.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.15 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.39 -42.93 87.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.077 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 50.1 m -66.92 -29.95 69.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.411 HG22 ' HD2' ' A' ' 11' ' ' TYR . 84.3 t -68.73 -47.54 75.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.156 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.522 ' HB1' ' O ' ' A' ' 32' ' ' LEU . . . -65.41 -40.64 93.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 51.1 tp60 -62.12 -37.22 84.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.921 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -58.02 -34.82 70.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 34.4 m -97.43 18.92 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 2.3 t 51.49 36.71 17.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.522 ' O ' ' HB1' ' A' ' 27' ' ' ALA . 17.3 tp -136.42 164.1 28.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.949 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.1 m -81.46 159.87 66.1 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.651 0.739 . . . . 0.0 110.858 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -35.66 12.11 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.642 2.228 . . . . 0.0 112.296 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.6 p -67.33 -46.36 73.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.4 tpp85 -71.77 -38.39 70.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.856 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.49 -45.1 69.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 91.3 p -60.6 -41.46 94.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.828 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -59.46 -48.2 82.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 78.9 mt -71.38 -31.29 67.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.601 ' CE2' HG13 ' A' ' 5' ' ' VAL . 0.8 OUTLIER -59.82 -49.77 76.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.892 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.56 -26.26 65.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -78.23 -39.92 38.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -81.31 -39.64 24.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.957 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.651 HD21 ' CD1' ' A' ' 52' ' ' TRP . 0.2 OUTLIER -88.77 -16.33 32.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 67.27 9.21 53.99 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.45 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.536 ' CG1' HD22 ' A' ' 45' ' ' LEU . 23.3 pt -149.56 170.76 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.835 0.35 . . . . 0.0 111.132 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.6 m -77.07 147.65 36.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.503 HG12 ' CD1' ' A' ' 41' ' ' PHE . 16.0 m -53.8 -41.21 47.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.173 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 56.1 mt -62.22 -35.69 79.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.0 t -73.03 -44.15 61.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.651 ' CD1' HD21 ' A' ' 45' ' ' LEU . 60.1 t90 -58.92 -43.58 91.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.646 ' HE ' HD12 ' A' ' 16' ' ' LEU . 4.6 tpt180 -61.29 -45.74 93.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -66.15 -43.32 87.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.07 -45.59 90.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -70.05 -34.84 73.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 56.0 mtt180 -57.81 -42.84 85.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.611 HG21 ' SG ' ' A' ' 94' ' ' CYS . 44.3 mm -72.28 -45.44 61.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.178 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.2 t -60.27 -39.21 86.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.455 ' O ' HD12 ' A' ' 64' ' ' LEU . 5.7 tp60 -71.91 -44.28 63.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.786 ' HB2' HG11 ' A' ' 79' ' ' VAL . . . -62.3 -46.41 88.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.095 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -67.93 -33.14 74.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.1 tt -61.44 -49.77 75.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.919 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.706 ' HA ' HG22 ' A' ' 67' ' ' THR . 1.1 mt -70.11 -40.47 74.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.629 ' HG ' HG11 ' A' ' 75' ' ' VAL . 2.7 mt -63.47 -25.06 68.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.953 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 35.1 t -90.66 -27.53 18.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.886 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.706 HG22 ' HA ' ' A' ' 64' ' ' LEU . 2.3 t -94.45 -6.92 42.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.134 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.503 HG23 HG23 ' A' ' 67' ' ' THR . 10.8 p -133.27 173.66 11.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 25.6 mmm-85 -119.09 18.32 13.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.827 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 71.9 mtm -66.59 157.0 84.7 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.576 0.703 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.47 ' O ' HG23 ' A' ' 75' ' ' VAL . 54.0 Cg_endo -69.8 161.83 44.43 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.66 2.24 . . . . 0.0 112.341 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 50.3 mm -63.13 -30.9 50.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.177 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.19 -47.19 77.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.5 m -65.4 -50.21 66.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.17 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.629 HG11 ' HG ' ' A' ' 65' ' ' LEU . 45.5 t -59.86 -40.72 83.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.5 -32.64 61.25 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.495 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 65.0 mtt180 -71.49 -32.58 68.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.844 0.354 . . . . 0.0 110.847 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -59.94 -31.8 70.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.786 HG11 ' HB2' ' A' ' 61' ' ' ALA . 15.7 m -91.78 0.52 9.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.116 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.71 0.72 66.43 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -91.8 117.16 29.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.853 0.359 . . . . 0.0 110.868 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -86.14 -31.5 21.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -90.81 118.58 30.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.8 -34.19 76.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.947 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.467 HD13 ' NH2' ' A' ' 89' ' ' ARG . 19.5 mt -68.96 -35.66 77.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -64.69 -48.48 74.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -66.61 -44.99 80.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.877 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.5 m -65.39 -37.48 87.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.467 ' NH2' HD13 ' A' ' 85' ' ' LEU . 26.3 mtt180 -62.97 -50.54 70.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 93.5 t -70.23 -45.99 73.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.114 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.508 ' CD2' HG23 ' A' ' 58' ' ' ILE . 50.8 t80 -61.47 -36.16 79.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.51 -41.95 81.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 33.1 mttm -75.77 -25.54 56.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' CYS . . . . . 0.611 ' SG ' HG21 ' A' ' 58' ' ' ILE . 11.5 t -55.92 -49.9 72.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 30.8 p -108.98 -9.33 15.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.18 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.99 -7.26 67.22 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.465 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.62 147.65 45.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.803 0.335 . . . . 0.0 111.082 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.1 162.32 40.23 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.707 0.765 . . . . 0.0 110.856 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -31.67 20.12 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.654 2.236 . . . . 0.0 112.365 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 27.3 t -67.46 -34.32 76.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -74.74 -47.61 30.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -59.91 -46.29 89.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 18.7 tpt180 -59.22 -40.49 85.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.841 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.36 -30.88 71.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 91.29 -9.07 78.41 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.505 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 37.7 t . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 120.726 0.298 . . . . 0.0 110.872 -179.921 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.768 0.318 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.43 ' HB3' HG23 ' A' ' 5' ' ' VAL . 3.9 t0 -78.62 148.65 33.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.874 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -53.68 -43.66 69.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.07 -40.17 92.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.707 HG13 ' CD2' ' A' ' 41' ' ' PHE . 40.3 t -68.95 -38.48 78.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.165 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.5 -34.76 77.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.903 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -62.12 -37.9 86.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.408 ' HB1' HG13 ' A' ' 26' ' ' VAL . . . -58.77 -35.84 73.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.11 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 32.5 t -59.7 -34.19 72.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -63.22 -44.2 95.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -69.45 -48.49 60.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.939 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 53.0 mt -61.25 -42.02 91.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.086 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 85.9 p -57.3 -37.53 72.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -67.32 -27.05 66.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -103.7 17.98 22.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.4 tt -56.6 -27.92 59.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -93.92 -20.96 19.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -68.78 149.11 49.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.4 t -93.4 -51.41 4.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -72.23 105.63 4.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -110.15 127.23 54.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -115.96 108.41 16.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.0 tp -54.93 -26.11 16.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.162 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.98 -44.86 91.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.15 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 71.9 m -63.41 -29.35 70.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.449 HG12 HD21 ' A' ' 37' ' ' LEU . 69.9 t -66.37 -50.24 69.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.124 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.79 ' HA ' HD22 ' A' ' 37' ' ' LEU . . . -67.69 -35.26 78.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -63.59 -37.16 86.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -57.98 -34.91 70.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.866 HG21 HD13 ' A' ' 37' ' ' LEU . 32.7 m -95.82 15.04 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.161 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 64.4 m 51.32 36.82 17.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.572 ' O ' ' HB1' ' A' ' 27' ' ' ALA . 1.5 tp -138.96 164.0 30.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.0 p -72.53 157.24 89.34 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.625 0.726 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.522 ' HA ' ' HB2' ' A' ' 27' ' ' ALA . 53.9 Cg_endo -69.75 -36.57 10.58 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.69 2.26 . . . . 0.0 112.354 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.3 p -65.75 -46.91 77.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.818 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.7 mmt85 -67.67 -44.89 76.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.866 HD13 HG21 ' A' ' 30' ' ' VAL . 11.5 tp -65.02 -45.16 86.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.951 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 39.1 m -60.16 -38.8 84.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 17.3 t60 -59.38 -49.45 77.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.3 mt -72.77 -31.41 64.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.707 ' CD2' HG13 ' A' ' 5' ' ' VAL . 1.0 OUTLIER -59.64 -50.7 72.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 55.2 ttt-85 -67.22 -26.32 66.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.5 tp-100 -78.69 -38.13 39.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -81.78 -40.56 22.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.538 HD21 ' CD1' ' A' ' 52' ' ' TRP . 0.1 OUTLIER -89.26 -15.04 34.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.06 10.13 50.43 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.507 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 22.1 pt -148.19 170.34 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.842 0.353 . . . . 0.0 111.108 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.2 t -77.34 149.61 35.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 27.5 t -54.63 -45.5 72.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.075 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.5 mp -62.3 -30.16 70.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.85 -46.75 51.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.538 ' CD1' HD21 ' A' ' 45' ' ' LEU . 60.8 t90 -59.17 -40.46 85.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.947 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.21 -47.27 83.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -66.13 -44.13 85.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -62.96 -37.65 87.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -68.32 -37.48 80.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.2 mtp180 -61.43 -42.51 98.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 48.8 mm -69.47 -45.35 78.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.8 t -66.34 -31.08 71.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -69.04 -43.8 73.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.583 ' HB2' HG11 ' A' ' 79' ' ' VAL . . . -60.27 -45.54 92.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.099 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 32.3 mtpt -71.29 -33.1 69.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.1 tp -67.88 -50.09 58.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.487 HD11 HG13 ' A' ' 75' ' ' VAL . 2.4 pp -69.79 -37.51 76.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.969 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.76 HD21 HG21 ' A' ' 75' ' ' VAL . 10.6 mt -59.61 -28.79 67.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.7 m -72.3 -26.1 61.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.813 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.441 HG23 HG23 ' A' ' 68' ' ' THR . 7.3 t -109.6 5.64 23.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.161 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.441 HG23 HG23 ' A' ' 67' ' ' THR . 69.8 p -133.18 159.1 41.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.183 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.48 18.41 10.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 48.2 mtm -68.31 157.47 87.54 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.565 0.698 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 165.12 32.05 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.7 2.266 . . . . 0.0 112.347 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 56.9 mt -60.22 -30.89 46.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.162 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.72 -47.04 79.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.059 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 23.6 m -68.93 -50.26 50.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.103 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.76 HG21 HD21 ' A' ' 65' ' ' LEU . 90.7 t -56.72 -40.9 73.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.125 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.529 ' O ' HG22 ' A' ' 79' ' ' VAL . . . -56.77 -32.51 61.94 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.48 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.9 tpp85 -71.53 -32.49 68.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.851 0.358 . . . . 0.0 110.87 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -60.19 -32.28 70.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.915 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.583 HG11 ' HB2' ' A' ' 61' ' ' ALA . 26.8 m -89.26 -1.67 9.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.106 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.1 25.63 16.4 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.441 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -123.8 116.68 23.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.854 0.359 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -82.49 -31.39 29.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -84.75 119.07 24.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.55 -40.59 97.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 34.6 mt -67.8 -33.26 74.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -62.1 -48.53 79.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -66.76 -42.66 85.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.3 p -65.44 -36.71 84.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 20.3 mtp85 -64.25 -50.91 66.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.865 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.416 HG13 ' N ' ' A' ' 91' ' ' PHE . 7.1 p -70.39 -40.83 78.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.149 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.416 ' N ' HG13 ' A' ' 90' ' ' VAL . 50.7 t80 -66.22 -36.43 83.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 57.7 tttt -57.88 -48.35 80.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.874 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -76.18 -25.66 55.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.894 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.7 m -57.75 -50.01 74.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 72.7 p -106.78 -9.74 16.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.8 -9.05 68.45 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.507 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.9 149.33 46.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.819 0.342 . . . . 0.0 111.08 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.07 162.4 39.38 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.612 0.72 . . . . 0.0 110.9 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -32.26 19.1 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.672 2.248 . . . . 0.0 112.371 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.7 t -67.49 -34.14 76.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -74.61 -47.7 30.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -61.6 -45.34 94.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 24.9 ptt180 -68.06 -32.43 72.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.822 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.97 -36.17 80.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.061 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 86.78 -9.15 72.8 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.5 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 31.3 p . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 120.783 0.325 . . . . 0.0 110.878 -179.886 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 ttt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.805 0.336 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -103.02 148.39 25.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.842 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -64.96 -29.34 70.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 85.3 mmt-85 -70.77 -49.68 44.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 30.0 m -69.47 -37.88 75.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.12 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 25.2 ttt-85 -54.95 -45.63 74.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -65.96 -41.61 91.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.528 ' HB1' ' CG1' ' A' ' 26' ' ' VAL . . . -58.77 -36.46 74.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.09 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 71.6 m -60.34 -35.61 76.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -64.51 -42.96 95.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -69.2 -48.34 62.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 78.1 mt -61.57 -44.73 99.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.116 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.8 t -57.55 -36.6 71.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.825 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -67.35 -24.18 65.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -93.69 17.98 10.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 tt -57.81 -38.26 75.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.948 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.76 -21.06 25.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.121 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -79.71 154.53 28.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.4 t -99.56 -41.29 7.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -60.79 102.94 0.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -118.23 110.46 17.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -116.05 105.32 12.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.836 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 7.3 tt -54.99 -27.38 19.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.114 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.73 -42.37 95.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.145 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.9 m -63.22 -33.26 75.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.528 ' CG1' ' HB1' ' A' ' 8' ' ' ALA . 60.2 t -70.03 -37.88 73.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.564 ' HB1' ' O ' ' A' ' 32' ' ' LEU . . . -67.11 -48.72 67.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.06 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -61.56 -37.38 83.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -58.2 -34.8 70.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.803 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.755 HG21 HD13 ' A' ' 37' ' ' LEU . 34.6 m -97.64 16.85 2.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.12 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 84.8 m 51.63 38.4 22.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.564 ' O ' ' HB1' ' A' ' 27' ' ' ALA . 0.1 OUTLIER -140.75 162.93 34.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.1 m -81.79 160.43 63.89 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.691 0.758 . . . . 0.0 110.874 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -38.55 7.7 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.689 2.26 . . . . 0.0 112.347 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 74.3 m -64.41 -46.75 81.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.834 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 24.4 tpt180 -72.4 -44.88 61.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.755 HD13 HG21 ' A' ' 30' ' ' VAL . 13.0 tp -61.58 -44.4 97.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 95.7 p -60.09 -39.06 84.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -59.74 -48.66 80.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.844 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 68.4 mt -71.22 -31.88 68.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.83 -52.18 46.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.41 -27.21 64.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.904 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 11.3 tp-100 -78.02 -41.53 35.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.931 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -80.43 -39.07 28.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.42 ' N ' HD23 ' A' ' 45' ' ' LEU . 3.9 mt -88.71 -16.37 32.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.04 10.81 53.12 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.465 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 28.5 pt -149.67 167.14 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.841 0.353 . . . . 0.0 111.134 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 t -77.45 158.96 29.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 15.8 m -54.02 -41.25 49.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.172 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.7 tp -62.41 -33.71 75.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.8 m -72.91 -48.11 39.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 76.9 t90 -65.57 -44.49 86.56 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.942 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -58.22 -47.58 83.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -66.17 -38.47 88.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -54.48 -36.27 63.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -70.36 -33.9 71.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 38.5 mtm180 -61.29 -47.18 87.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.56 HG21 ' SG ' ' A' ' 94' ' ' CYS . 50.4 mm -73.71 -43.15 54.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.106 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.7 t -62.01 -37.53 85.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 34.9 tp60 -71.41 -44.56 64.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.965 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.728 ' HB2' HG11 ' A' ' 79' ' ' VAL . . . -66.71 -45.71 77.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.079 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.2 ptmt -67.63 -32.84 73.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.8 tt -64.22 -52.26 59.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.694 HD11 HG13 ' A' ' 75' ' ' VAL . 2.3 pp -71.99 -37.63 69.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.917 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.7 tt -60.69 -29.0 69.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.1 t -75.0 -26.43 59.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.433 HG23 HG23 ' A' ' 68' ' ' THR . 8.9 t -106.97 7.01 29.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.166 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.461 HG23 ' O ' ' A' ' 64' ' ' LEU . 52.6 p -133.28 151.5 51.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.157 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 52.2 ttt-85 -109.76 18.42 20.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 27.3 mtm -68.24 158.49 84.25 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.596 0.713 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.609 ' O ' HG23 ' A' ' 75' ' ' VAL . 53.1 Cg_endo -69.83 152.99 69.12 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.7 2.267 . . . . 0.0 112.301 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 44.6 mm -55.87 -30.9 28.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.12 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.83 -47.24 72.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.088 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.4 m -70.81 -42.77 69.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.694 HG13 HD11 ' A' ' 64' ' ' LEU . 83.3 t -56.12 -40.28 63.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.117 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.67 -39.64 91.46 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.485 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 62.8 mtp180 -56.58 -32.84 65.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.82 0.343 . . . . 0.0 110.902 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -66.22 -21.87 66.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.728 HG11 ' HB2' ' A' ' 61' ' ' ALA . 2.6 m -112.3 14.14 8.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.154 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 79.32 -0.09 81.49 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.501 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 23.4 m-30 -86.5 116.87 24.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.918 0.39 . . . . 0.0 110.868 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -92.03 -31.47 15.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.847 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -89.55 118.54 29.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -62.92 -36.64 84.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.949 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 37.6 mt -68.0 -33.12 74.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.937 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -63.87 -48.54 76.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -66.71 -43.93 82.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.855 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 60.4 p -65.38 -38.59 90.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.1 mtp85 -61.87 -50.61 71.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.869 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 98.2 t -70.4 -45.2 75.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -61.48 -36.53 80.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.7 ttpt -57.7 -48.37 79.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 54.7 mttt -76.16 -25.51 55.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' CYS . . . . . 0.56 ' SG ' HG21 ' A' ' 58' ' ' ILE . 1.8 t -57.33 -50.02 74.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.865 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 80.5 p -107.5 -9.77 15.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.173 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.89 -8.06 67.83 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.77 148.25 45.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.785 0.326 . . . . 0.0 111.127 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.99 162.47 38.1 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.676 0.75 . . . . 0.0 110.868 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -32.18 19.1 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.713 2.276 . . . . 0.0 112.35 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.1 t -67.56 -34.08 76.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -74.61 -47.72 30.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -59.46 -46.62 88.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -67.77 -30.71 70.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.838 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.88 -28.89 70.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.077 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 92.67 -9.16 76.17 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.439 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 3.5 t . . . . . 0 C--N 1.328 -0.355 0 CA-C-O 120.822 0.344 . . . . 0.0 110.865 -179.866 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 ttt . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.746 0.307 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -78.93 147.69 32.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -60.82 -45.11 95.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 23.6 mmt85 -59.33 -48.77 80.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.606 HG13 ' CD2' ' A' ' 41' ' ' PHE . 38.5 t -64.77 -38.59 83.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.11 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -67.92 -34.96 77.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.473 ' HB3' HG12 ' A' ' 30' ' ' VAL . 1.7 tp10 -62.33 -37.91 87.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.424 ' HB1' HG13 ' A' ' 26' ' ' VAL . . . -58.71 -36.32 74.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.09 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.8 t -60.2 -34.22 73.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.929 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -62.75 -43.24 99.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.925 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -69.5 -47.71 62.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.933 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.606 HG23 ' NH2' ' A' ' 53' ' ' ARG . 71.8 mt -61.18 -37.81 78.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.147 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 51.8 p -60.62 -42.0 95.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -67.45 -35.64 79.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.832 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -94.18 17.96 11.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.44 HD11 ' HG3' ' A' ' 57' ' ' ARG . 20.1 tp -59.93 -28.48 67.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -93.87 -20.99 19.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -61.96 144.09 55.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.9 m -87.5 -51.44 5.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -81.1 98.94 8.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.86 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -102.63 129.95 49.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -116.24 120.5 39.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.906 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.8 tt -62.64 -28.36 44.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.15 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.01 -41.4 87.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.05 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 70.2 m -62.94 -30.63 71.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.49 HG12 HD21 ' A' ' 37' ' ' LEU . 55.5 t -66.68 -48.92 78.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.125 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.721 ' HA ' HD22 ' A' ' 37' ' ' LEU . . . -67.3 -41.57 85.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.119 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 50.3 tp60 -62.6 -37.13 85.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -58.04 -34.86 70.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.834 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.812 HG21 HD13 ' A' ' 37' ' ' LEU . 32.6 m -96.45 16.54 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 88.0 m 51.4 38.47 21.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.546 ' O ' ' HB1' ' A' ' 27' ' ' ALA . 10.4 tp -140.94 163.71 32.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.2 m -72.12 159.75 84.57 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.687 0.756 . . . . 0.0 110.85 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.569 ' HA ' ' HB2' ' A' ' 27' ' ' ALA . 53.6 Cg_endo -69.79 -39.5 6.38 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.655 2.237 . . . . 0.0 112.306 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.1 m -67.7 -46.76 71.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.8 tpm_? -63.59 -44.85 92.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.838 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.812 HD13 HG21 ' A' ' 30' ' ' VAL . 14.7 tp -68.17 -44.64 75.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 27.5 t -60.41 -38.15 83.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 17.2 t60 -59.62 -49.2 78.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.858 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.4 mt -71.86 -32.47 67.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.606 ' CD2' HG13 ' A' ' 5' ' ' VAL . 0.5 OUTLIER -61.45 -50.06 74.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.44 -26.56 67.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.839 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.5 tm0? -78.65 -40.94 32.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -80.27 -39.46 28.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.456 HD12 ' CD1' ' A' ' 52' ' ' TRP . 4.1 mm? -88.73 -16.48 32.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 67.22 8.45 50.34 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.483 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 26.9 pt -149.97 173.58 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.844 0.354 . . . . 0.0 111.131 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.0 t -77.3 153.69 33.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 30.3 t -54.19 -41.83 53.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.116 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 50' ' ' LEU . 7.4 tp -61.55 -35.4 77.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.888 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.6 m -72.91 -48.02 40.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.456 ' CD1' HD12 ' A' ' 45' ' ' LEU . 61.8 t90 -59.94 -40.56 89.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.948 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.606 ' NH2' HG23 ' A' ' 12' ' ' ILE . 21.9 ttm-85 -58.45 -46.38 86.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -65.79 -44.63 85.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -55.69 -41.85 74.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.836 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 -67.95 -37.6 81.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.44 ' HG3' HD11 ' A' ' 16' ' ' LEU . 16.4 mtp180 -58.41 -41.93 86.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.89 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.632 HG21 ' SG ' ' A' ' 94' ' ' CYS . 50.0 mm -65.7 -44.85 93.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.1 t -66.83 -36.02 81.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.7 -43.66 83.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.65 ' HA ' HD12 ' A' ' 64' ' ' LEU . . . -56.81 -38.7 72.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.085 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.436 ' HE3' HG22 ' A' ' 58' ' ' ILE . 31.9 mttt -61.03 -39.72 90.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.408 ' O ' HD13 ' A' ' 63' ' ' LEU . 0.3 OUTLIER -61.9 -44.07 97.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 179.876 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.69 ' HA ' HG22 ' A' ' 67' ' ' THR . 1.1 mt -70.13 -44.46 68.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.557 ' HG ' HG21 ' A' ' 75' ' ' VAL . 1.7 mt -67.18 -25.53 66.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 57.8 m -90.77 -26.52 19.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.69 HG22 ' HA ' ' A' ' 64' ' ' LEU . 3.6 t -94.6 -12.7 26.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.142 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.619 HG23 HG23 ' A' ' 67' ' ' THR . 4.2 p -131.96 173.47 11.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.112 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.75 18.39 13.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 77.9 mtm -65.76 155.49 86.11 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.618 0.723 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.591 ' O ' HG23 ' A' ' 75' ' ' VAL . 53.7 Cg_endo -69.77 166.51 27.35 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.742 2.294 . . . . 0.0 112.335 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 34.4 mm -62.88 -31.02 50.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.15 -47.37 74.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 95.1 m -67.31 -45.9 75.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 71' ' ' PRO . 87.8 t -56.12 -40.29 63.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.098 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.478 ' O ' HG22 ' A' ' 79' ' ' VAL . . . -56.3 -43.9 89.53 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.488 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.49 -33.7 68.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.835 0.35 . . . . 0.0 110.877 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -63.16 -31.97 73.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.514 HG11 ' HB2' ' A' ' 61' ' ' ALA . 34.0 m -98.67 17.8 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 75.16 3.26 68.99 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.515 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.506 ' CD1' HG23 ' A' ' 79' ' ' VAL . 3.7 m-85 -82.29 117.14 22.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.909 0.385 . . . . 0.0 110.878 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -83.56 -31.55 26.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -97.5 118.94 35.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.478 ' HG3' HD22 ' A' ' 85' ' ' LEU . 8.5 pt20 -62.64 -40.69 97.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.478 HD22 ' HG3' ' A' ' 84' ' ' GLN . 4.1 mm? -66.49 -32.58 74.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.432 ' O ' HG12 ' A' ' 90' ' ' VAL . 5.5 t80 -59.84 -47.47 85.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -61.48 -46.47 89.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 92.1 p -65.58 -36.16 82.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 72.5 mtt180 -63.5 -51.73 64.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.871 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.432 HG12 ' O ' ' A' ' 86' ' ' TYR . 7.6 p -70.89 -40.29 76.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.153 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.472 ' CD2' HG23 ' A' ' 58' ' ' ILE . 39.1 t80 -66.14 -36.01 81.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -57.16 -48.54 78.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 32.9 mtpt -76.08 -25.37 55.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' CYS . . . . . 0.632 ' SG ' HG21 ' A' ' 58' ' ' ILE . 39.3 t -55.67 -49.94 71.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 70.8 p -109.54 -9.97 14.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.92 -5.83 66.56 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.483 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.69 148.63 45.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.783 0.325 . . . . 0.0 111.118 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.18 162.47 39.51 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.681 0.753 . . . . 0.0 110.821 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -33.57 16.31 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.664 2.243 . . . . 0.0 112.336 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.1 m -67.25 -33.92 76.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.854 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -74.13 -47.55 35.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -58.8 -43.21 90.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 65.1 ttp85 -66.46 -36.57 83.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.834 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.95 -33.29 75.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.075 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 87.44 -9.2 74.3 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.507 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 42.7 t . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 120.737 0.303 . . . . 0.0 110.926 -179.889 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 tpt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.745 0.307 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.576 ' HB3' HG23 ' A' ' 5' ' ' VAL . 10.4 t0 -78.91 144.59 34.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.85 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -60.1 -39.84 87.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -64.19 -46.18 85.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.576 HG23 ' HB3' ' A' ' 2' ' ' ASP . 80.7 t -57.48 -38.69 64.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -55.38 -45.57 76.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -64.75 -35.2 80.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.68 -36.3 73.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.111 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.8 t -60.24 -34.21 73.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -62.62 -47.07 85.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.921 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -69.49 -47.29 64.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 64.5 mt -61.32 -37.83 78.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.088 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.6 m -66.77 -44.67 80.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -66.54 -38.9 88.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -94.8 17.98 12.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.826 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.431 HD11 ' HG3' ' A' ' 57' ' ' ARG . 3.9 tp -62.48 -25.53 68.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.32 -21.03 21.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.081 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -62.59 138.63 58.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.816 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.5 m -79.67 -51.53 9.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.817 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -78.89 107.68 11.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -114.99 126.21 54.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -116.03 113.06 22.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.6 tp -55.08 -28.62 21.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.39 -42.38 95.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.085 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.0 m -62.99 -29.77 71.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.867 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.542 HG12 HD21 ' A' ' 37' ' ' LEU . 81.0 t -70.3 -39.23 76.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.152 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.735 ' HA ' HD22 ' A' ' 37' ' ' LEU . . . -67.2 -49.2 65.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -62.03 -36.88 82.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -57.71 -34.5 69.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.788 HG21 HD13 ' A' ' 37' ' ' LEU . 27.7 m -99.85 18.13 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.08 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 72.9 m 51.47 36.43 16.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.83 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.617 ' HB2' HG23 ' A' ' 30' ' ' VAL . 0.4 OUTLIER -136.64 164.05 29.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.955 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.02 159.98 69.63 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.708 0.766 . . . . 0.0 110.859 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -39.3 6.59 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.707 2.272 . . . . 0.0 112.363 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.1 m -67.89 -43.84 78.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.47 -44.91 61.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.869 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.788 HD13 HG21 ' A' ' 30' ' ' VAL . 15.8 tp -63.39 -44.36 94.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.6 t -59.85 -38.56 82.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -59.7 -48.93 79.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 38.5 mt -71.48 -32.19 67.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.927 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.573 ' CE2' HG13 ' A' ' 5' ' ' VAL . 0.3 OUTLIER -66.65 -52.07 49.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.0 ttp180 -70.45 -26.77 63.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? -78.14 -41.66 34.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 -80.7 -39.02 27.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.427 HD23 ' N ' ' A' ' 45' ' ' LEU . 3.9 mt -88.66 -16.71 31.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.85 9.29 52.33 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.463 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.403 HD11 ' HA ' ' A' ' 52' ' ' TRP . 27.5 pt -149.96 171.25 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.837 0.351 . . . . 0.0 111.123 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 33.8 m -77.24 154.14 33.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.869 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 37.6 t -54.17 -43.57 60.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.135 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.4 mp -61.6 -36.22 80.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.4 t -72.93 -44.91 60.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.403 ' HA ' HD11 ' A' ' 47' ' ' ILE . 37.4 t90 -59.2 -40.87 87.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.904 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -58.29 -47.15 84.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.872 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -57.25 -46.71 82.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -54.92 -41.73 71.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -70.11 -41.23 74.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.944 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.431 ' HG3' HD11 ' A' ' 16' ' ' LEU . 20.5 mtp180 -58.25 -46.78 85.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 42.8 mm -71.46 -45.59 67.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.9 t -59.27 -38.93 81.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.871 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.425 ' O ' HD12 ' A' ' 64' ' ' LEU . 31.7 tp60 -72.21 -44.61 62.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.756 ' HB2' HG11 ' A' ' 79' ' ' VAL . . . -61.76 -46.58 88.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -67.38 -33.14 74.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.933 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.412 ' C ' HD23 ' A' ' 63' ' ' LEU . 10.1 tt -62.54 -49.01 77.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.687 ' HA ' HG22 ' A' ' 67' ' ' THR . 1.1 mt -69.93 -41.25 74.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.608 ' HG ' HG21 ' A' ' 75' ' ' VAL . 6.5 mt -67.55 -25.27 65.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 58.2 m -90.42 -27.2 19.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.687 HG22 ' HA ' ' A' ' 64' ' ' LEU . 4.2 t -94.56 -12.51 27.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.155 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.655 HG23 HG23 ' A' ' 67' ' ' THR . 3.4 p -133.32 173.8 11.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.159 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.74 18.35 15.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 77.5 mtm -62.36 155.57 66.14 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.602 0.715 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.479 ' O ' HG23 ' A' ' 75' ' ' VAL . 53.8 Cg_endo -69.7 162.52 41.7 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.724 2.282 . . . . 0.0 112.373 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 41.5 mt -63.0 -30.78 50.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.171 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.69 -47.27 78.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.13 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 96.9 m -65.12 -50.1 67.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.153 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.608 HG21 ' HG ' ' A' ' 65' ' ' LEU . 42.5 t -59.27 -39.69 79.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.104 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.68 -32.1 58.29 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.485 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 62.7 mtp180 -67.38 -33.52 75.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.807 0.337 . . . . 0.0 110.856 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -63.77 -31.51 72.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.756 HG11 ' HB2' ' A' ' 61' ' ' ALA . 16.2 m -92.95 8.45 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.088 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 78.73 4.67 88.17 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.542 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -95.9 116.6 29.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.833 0.349 . . . . 0.0 110.913 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -82.12 -31.48 30.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -85.38 118.7 25.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -62.57 -36.4 82.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 21.8 mt -68.9 -33.03 73.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.936 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -59.38 -48.44 81.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.45 ' CZ ' ' HB1' ' A' ' 61' ' ' ALA . 34.4 t80 -66.73 -40.67 88.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.9 m -65.61 -37.86 87.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -62.73 -50.56 70.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 99.8 t -70.33 -46.07 72.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -61.36 -35.82 78.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 61.1 tttt -57.13 -47.89 80.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 38.6 mtpt -76.18 -25.77 55.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 16.5 m -60.41 -50.16 74.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 23.1 p -102.72 -11.61 18.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.162 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.61 -9.1 68.92 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.464 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.94 147.21 44.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.823 0.344 . . . . 0.0 111.076 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.77 162.55 35.66 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.594 0.712 . . . . 0.0 110.878 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -30.49 22.13 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.659 2.239 . . . . 0.0 112.321 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 29.9 t -67.52 -35.05 78.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.845 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.78 -47.71 29.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -61.0 -37.67 83.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.11 -42.32 94.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.39 -26.25 67.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.082 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 93.66 -9.18 73.91 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.526 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 2.0 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 120.815 0.34 . . . . 0.0 110.902 -179.881 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 ttt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.78 0.324 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.77 ' HB3' HG23 ' A' ' 5' ' ' VAL . 0.9 OUTLIER -78.86 148.34 32.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -56.5 -45.53 80.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.559 ' NH2' HD13 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -63.09 -34.44 77.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.839 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.77 HG23 ' HB3' ' A' ' 2' ' ' ASP . 89.4 t -60.26 -38.45 77.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.101 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -66.8 -38.23 86.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -72.12 -34.13 68.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.85 -46.72 43.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.11 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 10.6 p -62.74 -31.28 72.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.83 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 68.2 tp60 -63.34 -37.03 85.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -69.55 -41.94 75.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 63.6 mt -61.18 -41.82 90.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.1 p -57.41 -34.16 68.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -67.26 -25.77 66.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -107.98 17.95 21.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.9 tp -54.85 -41.65 71.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.03 -21.05 31.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.093 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -81.47 131.98 35.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m -77.37 -27.74 52.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -73.9 94.6 2.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -118.11 117.87 30.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -116.04 111.57 20.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.7 tt -54.98 -26.28 17.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.36 -43.49 97.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.2 m -63.1 -31.09 72.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.566 HG12 HD21 ' A' ' 37' ' ' LEU . 20.4 t -67.3 -48.61 77.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.126 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.554 ' HB1' ' O ' ' A' ' 32' ' ' LEU . . . -67.13 -41.25 86.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.121 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -63.0 -36.47 83.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -57.25 -33.06 67.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.2 m -100.91 18.28 3.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 66.1 m 51.2 40.87 27.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.559 HD13 ' NH2' ' A' ' 4' ' ' ARG . 0.1 OUTLIER -140.96 164.36 30.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.905 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.21 160.01 78.93 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.618 0.723 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.452 ' HA ' ' HB2' ' A' ' 27' ' ' ALA . 54.2 Cg_endo -69.73 -36.56 10.67 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.707 2.272 . . . . 0.0 112.392 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 55.0 p -65.24 -44.76 87.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -67.57 -41.27 84.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.566 HD21 HG12 ' A' ' 26' ' ' VAL . 24.0 tp -66.11 -44.3 84.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 71.1 p -60.05 -37.17 79.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 18.8 t60 -59.7 -49.8 76.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.556 HD12 HH11 ' A' ' 4' ' ' ARG . 5.7 mt -72.2 -30.92 65.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -63.04 -51.78 65.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 34.1 ttt180 -70.29 -26.28 63.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.51 -42.55 35.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -80.52 -38.58 29.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.932 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.433 HD23 ' N ' ' A' ' 45' ' ' LEU . 3.5 mt -88.4 -16.89 31.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.77 8.88 50.25 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.493 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 28.5 pt -150.18 171.33 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.798 0.332 . . . . 0.0 111.151 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.3 t -77.61 152.93 33.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.4 m -54.12 -40.26 45.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.18 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 39.0 mt -61.96 -36.05 80.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.4 m -72.99 -47.86 41.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 73.9 t90 -59.82 -47.25 86.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.924 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 33.2 ttp180 -58.3 -47.04 84.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.849 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -65.97 -44.62 84.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -54.68 -45.36 73.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -69.67 -34.94 74.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -59.22 -45.11 91.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.603 HG23 ' HD2' ' A' ' 91' ' ' PHE . 47.0 mm -59.24 -45.55 92.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.11 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.4 t -70.52 -31.38 68.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 50.0 tp60 -69.13 -38.93 79.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.887 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.738 ' HB2' ' CG1' ' A' ' 79' ' ' VAL . . . -68.01 -36.38 79.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.087 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.496 ' HD2' HG22 ' A' ' 58' ' ' ILE . 3.6 mtpm? -71.71 -32.35 67.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.6 -50.94 71.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.598 HD12 ' OG1' ' A' ' 68' ' ' THR . 1.6 pp -70.43 -36.57 74.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.598 HD12 HG11 ' A' ' 75' ' ' VAL . 0.3 OUTLIER -64.04 -28.81 70.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.957 179.855 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.9 t -68.63 -18.07 64.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.518 HG23 HG23 ' A' ' 68' ' ' THR . 8.5 t -122.56 2.61 9.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.137 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.598 ' OG1' HD12 ' A' ' 64' ' ' LEU . 35.8 p -132.39 162.66 30.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.171 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.49 18.46 10.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 63.7 mtm -60.64 157.29 38.61 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.516 0.674 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.411 ' O ' HG23 ' A' ' 75' ' ' VAL . 53.9 Cg_endo -69.72 166.46 27.47 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.665 2.243 . . . . 0.0 112.324 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 51.1 mm -62.42 -30.97 50.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.139 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.65 -47.2 79.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.09 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 28.7 m -67.64 -50.08 59.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.151 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.598 HG11 HD12 ' A' ' 65' ' ' LEU . 69.5 t -57.95 -40.67 77.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.071 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.21 -32.48 60.23 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.512 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.94 -32.41 69.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.827 0.346 . . . . 0.0 110.897 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -59.92 -31.58 69.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.738 ' CG1' ' HB2' ' A' ' 61' ' ' ALA . 13.8 m -92.63 1.08 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 92.96 0.59 68.29 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.523 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -91.53 117.11 29.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.841 0.353 . . . . 0.0 110.854 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -84.59 -31.51 24.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.83 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -89.66 118.48 29.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -63.13 -39.28 94.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.7 mt -63.43 -38.13 89.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -63.68 -45.49 89.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -66.62 -45.85 77.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.855 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 11.9 t -65.52 -37.59 87.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 65.7 mtt-85 -62.94 -50.69 69.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 99.6 t -70.37 -45.72 73.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.116 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.603 ' HD2' HG23 ' A' ' 58' ' ' ILE . 45.0 t80 -61.48 -36.06 79.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 27.0 tttm -57.31 -44.59 84.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 23.1 mtmm -75.76 -25.56 56.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' CYS . . . . . 0.536 ' SG ' HG21 ' A' ' 58' ' ' ILE . 2.9 t -56.2 -49.92 72.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 19.3 p -108.49 -9.7 15.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.117 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.97 -7.4 67.33 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.491 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.73 148.25 45.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.783 0.325 . . . . 0.0 111.09 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.14 162.45 39.35 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.658 0.742 . . . . 0.0 110.869 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -32.37 18.71 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.676 2.251 . . . . 0.0 112.383 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 30.0 t -67.46 -34.06 76.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -74.52 -47.64 31.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -60.32 -43.96 95.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -63.88 -40.59 96.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.888 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.78 -33.83 74.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.082 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 89.24 -9.09 78.24 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.465 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 5.5 t . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 120.743 0.306 . . . . 0.0 110.91 -179.928 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.718 0.294 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -78.48 148.99 33.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -53.47 -29.24 34.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 34.6 mtm180 -70.61 -49.07 51.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.422 HG13 ' CD2' ' A' ' 41' ' ' PHE . 99.5 t -69.38 -38.41 77.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.165 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.73 -34.36 62.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -71.66 -33.65 69.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.925 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.81 -46.92 56.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.102 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.782 ' HA ' HD12 ' A' ' 12' ' ' ILE . 13.8 p -65.68 -31.31 72.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 49.8 tp60 -64.33 -35.86 82.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -69.49 -37.29 77.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.782 HD12 ' HA ' ' A' ' 9' ' ' CYS . 31.8 mt -61.51 -36.89 76.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.12 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.3 p -58.62 -36.4 74.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.822 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -67.44 -27.11 66.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 34.0 m-70 -101.84 17.87 21.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.575 HD12 ' NH2' ' A' ' 53' ' ' ARG . 8.0 tt -60.9 -29.44 69.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.949 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -93.37 -20.91 19.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.079 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.82 131.22 46.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 39.3 m -73.44 -51.47 17.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -85.96 94.28 9.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -98.51 132.13 44.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -116.06 123.31 47.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.3 tt -68.95 -22.54 26.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.159 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.47 -42.96 99.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 21.1 m -62.81 -29.5 70.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.797 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.547 HG12 HD21 ' A' ' 37' ' ' LEU . 60.8 t -66.57 -50.07 69.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.122 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.798 ' HA ' HD22 ' A' ' 37' ' ' LEU . . . -67.5 -43.74 80.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.085 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -61.99 -36.55 81.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.934 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -57.53 -34.67 69.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.754 HG21 HD13 ' A' ' 37' ' ' LEU . 16.0 m -98.83 19.0 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 2.8 t 51.4 37.78 20.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.544 ' O ' ' HB1' ' A' ' 27' ' ' ALA . 1.4 mt -137.38 163.38 31.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.946 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.6 m -76.68 159.08 79.99 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.636 0.731 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.442 ' HA ' ' HB2' ' A' ' 27' ' ' ALA . 53.5 Cg_endo -69.81 -39.3 6.56 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.673 2.248 . . . . 0.0 112.377 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 83.3 p -67.58 -46.83 71.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.15 -41.45 86.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.843 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.798 HD22 ' HA ' ' A' ' 27' ' ' ALA . 11.1 tp -69.22 -44.47 71.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.923 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.3 t -59.8 -40.29 87.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 39.3 t-80 -59.52 -48.74 80.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.94 -31.57 66.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.525 ' CD1' HG22 ' A' ' 49' ' ' VAL . 0.7 OUTLIER -59.3 -50.38 74.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 179.911 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 49.8 ttt180 -68.44 -25.61 65.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 -77.95 -41.0 37.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -81.31 -39.4 25.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.631 HD21 ' CD1' ' A' ' 52' ' ' TRP . 0.3 OUTLIER -88.33 -16.91 31.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 67.76 8.25 51.88 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.462 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.543 HG12 HD22 ' A' ' 45' ' ' LEU . 24.0 pt -149.6 172.95 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.901 0.382 . . . . 0.0 111.099 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.8 m -77.24 147.57 36.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.525 HG22 ' CD1' ' A' ' 41' ' ' PHE . 30.3 t -54.04 -45.03 64.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.116 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.8 mp -62.0 -33.35 74.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.8 t -73.01 -43.83 61.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.631 ' CD1' HD21 ' A' ' 45' ' ' LEU . 60.4 t90 -58.68 -40.9 84.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.575 ' NH2' HD12 ' A' ' 16' ' ' LEU . 7.8 tpm_? -61.36 -46.59 89.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 55.8 tt0 -62.66 -46.64 87.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -57.85 -41.58 82.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 -69.94 -38.2 76.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.964 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 31.5 mtp180 -58.29 -41.11 83.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 51.2 mm -71.42 -45.48 68.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.9 t -62.76 -37.63 87.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.448 ' O ' HD12 ' A' ' 64' ' ' LEU . 7.8 tp60 -71.81 -44.25 64.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.75 ' HB2' HG11 ' A' ' 79' ' ' VAL . . . -57.16 -46.48 82.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.086 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.08 -33.14 73.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.405 ' O ' HD13 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -60.76 -49.53 77.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.676 ' HA ' HG22 ' A' ' 67' ' ' THR . 0.6 OUTLIER -69.92 -39.02 76.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 179.897 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.732 ' CD1' HG11 ' A' ' 75' ' ' VAL . 0.3 OUTLIER -66.65 -25.29 66.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.878 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.1 t -90.55 -26.71 19.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.676 HG22 ' HA ' ' A' ' 64' ' ' LEU . 3.0 t -94.57 -11.44 29.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.158 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.603 HG23 HG23 ' A' ' 67' ' ' THR . 4.8 p -133.09 173.66 11.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.169 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 -119.8 18.65 12.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.857 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 72.8 mtm -60.54 156.71 41.31 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.552 0.692 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.622 ' O ' HG23 ' A' ' 75' ' ' VAL . 53.6 Cg_endo -69.8 165.68 30.19 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.632 2.221 . . . . 0.0 112.352 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 33.6 mm -63.77 -31.0 51.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.86 -47.34 72.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.093 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 99.4 m -67.25 -46.59 73.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.732 HG11 ' CD1' ' A' ' 65' ' ' LEU . 94.3 t -56.13 -40.9 67.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.475 ' O ' HG22 ' A' ' 79' ' ' VAL . . . -58.41 -42.52 95.78 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.514 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 45.3 mtp85 -57.84 -34.34 69.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.811 0.339 . . . . 0.0 110.877 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -61.07 -31.71 71.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.75 HG11 ' HB2' ' A' ' 61' ' ' ALA . 33.5 m -100.3 17.54 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 74.16 4.56 68.58 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.488 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.494 ' CD1' HG23 ' A' ' 79' ' ' VAL . 3.7 m-85 -82.75 117.12 22.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.848 0.356 . . . . 0.0 110.923 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -83.25 -31.52 26.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -94.46 119.02 32.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -62.41 -41.06 98.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -69.2 -34.32 74.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -60.14 -41.51 92.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.587 ' CZ ' ' HB1' ' A' ' 61' ' ' ALA . 32.4 t80 -66.74 -45.43 78.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 62.9 p -65.52 -38.28 89.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 29.2 mtt-85 -62.98 -50.49 70.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.93 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 85.9 t -70.21 -45.64 74.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.106 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -61.23 -37.14 81.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -25.79 67.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.957 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 40.4 mttt -78.33 -25.26 46.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.48 -41.41 18.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.1 p -94.03 -15.73 24.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.16 -9.82 68.37 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.477 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -138.89 152.99 48.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.828 0.347 . . . . 0.0 111.099 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.79 162.95 32.17 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.672 0.749 . . . . 0.0 110.862 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -32.27 19.0 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.622 2.215 . . . . 0.0 112.368 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.7 t -67.79 -34.08 76.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.856 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -74.82 -47.98 27.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -59.76 -44.48 93.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 57.6 ttt-85 -59.35 -42.08 90.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.902 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -67.14 -28.53 68.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.074 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 88.25 -9.15 76.25 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.464 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 13.9 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 120.777 0.323 . . . . 0.0 110.864 -179.884 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.2 tpt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.763 0.316 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.612 ' OD2' HG23 ' A' ' 5' ' ' VAL . 16.9 p-10 -78.79 145.62 34.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -64.84 -31.88 73.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -55.71 -50.07 71.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.713 HG13 ' CE2' ' A' ' 41' ' ' PHE . 68.0 t -70.09 -38.48 75.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -54.8 -35.67 64.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -67.63 -40.6 84.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.66 -36.28 73.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.099 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.3 t -60.16 -34.07 73.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 60.0 tp60 -61.99 -43.18 99.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -69.39 -48.47 61.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 61.6 mt -61.82 -40.44 86.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.155 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.7 t -57.35 -39.5 76.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -67.45 -26.67 66.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.906 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -108.6 18.02 21.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.7 tp -56.64 -26.17 55.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.949 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.39 -21.02 21.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -61.99 149.33 41.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.7 m -90.83 -50.94 5.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.828 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -82.19 106.51 14.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.491 ' HZ ' HG21 ' A' ' 26' ' ' VAL . 18.2 t80 -104.77 134.08 48.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.08 118.43 32.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.3 tp -69.15 -29.86 44.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.17 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.46 -42.94 97.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.079 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.8 m -62.99 -29.79 71.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.491 HG21 ' HZ ' ' A' ' 21' ' ' PHE . 48.1 t -70.42 -38.66 74.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.166 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.549 ' HB1' ' O ' ' A' ' 32' ' ' LEU . . . -67.38 -49.06 65.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -61.38 -36.92 81.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -57.64 -34.93 69.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.835 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.457 HG21 HD22 ' A' ' 37' ' ' LEU . 32.6 m -97.68 16.22 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.171 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 4.6 t 51.54 36.81 17.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.549 ' O ' ' HB1' ' A' ' 27' ' ' ALA . 20.2 tp -140.69 163.48 32.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.9 m -74.59 160.29 81.41 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.653 0.739 . . . . 0.0 110.854 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -39.04 6.93 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.664 2.242 . . . . 0.0 112.354 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.1 m -66.52 -46.74 75.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.4 mtm180 -66.38 -44.38 83.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.864 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.482 HD21 HG12 ' A' ' 26' ' ' VAL . 27.2 tp -66.64 -43.98 83.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 24.3 m -59.82 -38.65 82.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.831 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -59.76 -48.99 79.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 42.9 mt -71.65 -31.87 67.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.713 ' CE2' HG13 ' A' ' 5' ' ' VAL . 0.4 OUTLIER -63.39 -50.37 70.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.47 -27.05 66.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -79.27 -39.44 32.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 35.9 mm-40 -80.76 -40.26 25.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.5 HD12 ' CD1' ' A' ' 52' ' ' TRP . 4.0 mm? -89.14 -16.77 30.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.945 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 69.46 5.95 52.19 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.458 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 25.0 pt -149.78 175.85 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.886 0.374 . . . . 0.0 111.13 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 83.3 p -77.17 148.72 35.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.462 HG22 ' CD1' ' A' ' 41' ' ' PHE . 29.9 t -54.06 -38.89 39.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.096 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 50' ' ' LEU . 6.2 tp -61.15 -41.12 96.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.967 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.2 t -73.01 -42.04 63.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.5 ' CD1' HD12 ' A' ' 45' ' ' LEU . 66.1 t90 -59.51 -40.58 87.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.1 ttp180 -58.32 -46.68 85.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -65.87 -44.09 86.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.39 -37.78 88.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.89 -40.98 90.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.403 ' O ' HG12 ' A' ' 79' ' ' VAL . 12.9 mtp180 -58.15 -46.78 85.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.613 HG23 ' HD2' ' A' ' 91' ' ' PHE . 47.0 mm -62.08 -45.45 98.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.099 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.4 t -61.78 -37.26 83.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.469 ' O ' HD12 ' A' ' 64' ' ' LEU . 7.5 tp60 -71.41 -38.19 71.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.789 ' HB2' HG11 ' A' ' 79' ' ' VAL . . . -56.73 -36.27 69.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.123 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -70.2 -41.09 74.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.67 -48.68 80.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.7 ' HA ' HG22 ' A' ' 67' ' ' THR . 0.6 OUTLIER -68.55 -39.48 81.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.947 179.837 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.65 ' HG ' HG11 ' A' ' 75' ' ' VAL . 11.2 mt -67.93 -25.26 65.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.3 t -90.51 -26.74 19.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.7 HG22 ' HA ' ' A' ' 64' ' ' LEU . 3.8 t -94.63 -12.64 27.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.152 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.64 HG23 HG23 ' A' ' 67' ' ' THR . 3.7 p -133.04 173.71 11.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.8 18.45 12.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 73.2 mtm -61.75 156.04 57.7 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.529 0.68 . . . . 0.0 110.91 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.432 ' O ' HG23 ' A' ' 75' ' ' VAL . 54.0 Cg_endo -69.74 166.4 27.7 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.669 2.246 . . . . 0.0 112.326 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 37.9 mt -63.0 -30.88 50.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.179 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.43 -47.29 76.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 81.3 m -64.58 -50.2 68.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.191 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.65 HG11 ' HG ' ' A' ' 65' ' ' LEU . 48.3 t -59.68 -39.93 80.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.188 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.69 -32.17 58.39 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.426 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 67.7 mtp180 -70.42 -33.69 71.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.831 0.348 . . . . 0.0 110.862 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 48.6 m-20 -63.37 -31.64 72.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.789 HG11 ' HB2' ' A' ' 61' ' ' ALA . 15.9 m -90.77 13.05 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 73.53 28.49 65.45 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.492 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -122.95 116.82 24.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.81 0.338 . . . . 0.0 110.884 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -83.27 -31.55 26.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.911 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -84.11 118.06 23.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -63.51 -40.73 97.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.4 mp -67.68 -37.44 82.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.958 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.431 ' O ' HG12 ' A' ' 90' ' ' VAL . 5.3 t80 -60.09 -48.6 81.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.948 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -60.92 -45.53 94.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.4 p -65.77 -36.4 83.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 46.2 mtt-85 -64.15 -51.32 64.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.431 HG12 ' O ' ' A' ' 86' ' ' TYR . 7.3 p -70.47 -40.68 77.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.14 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.613 ' HD2' HG23 ' A' ' 58' ' ' ILE . 51.9 t80 -66.22 -36.16 82.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.36 -41.52 80.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.6 mtpp -75.81 -25.54 56.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' CYS . . . . . 0.589 ' SG ' HG21 ' A' ' 58' ' ' ILE . 26.0 t -56.14 -49.89 72.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 30.8 p -108.74 -9.54 15.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.101 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.96 -7.04 67.2 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.71 147.13 44.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.82 0.343 . . . . 0.0 111.091 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.94 162.41 38.2 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.686 0.755 . . . . 0.0 110.853 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -31.86 19.7 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.633 2.222 . . . . 0.0 112.347 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 13.8 t -67.27 -34.47 77.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -74.65 -47.59 31.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -59.66 -44.45 93.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 12.8 ttt-85 -61.33 -35.58 77.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.46 -30.41 70.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.092 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 86.99 -9.14 73.54 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.437 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 16.5 m . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 120.786 0.327 . . . . 0.0 110.863 -179.886 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.1 tpp . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.765 0.317 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -78.64 146.37 34.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.859 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.38 -45.58 93.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.2 mtt85 -55.82 -48.89 74.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.509 HG13 ' CD2' ' A' ' 41' ' ' PHE . 46.1 t -69.19 -38.18 77.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.105 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -54.58 -34.57 62.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.79 -33.37 68.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.677 ' HB2' HG11 ' A' ' 30' ' ' VAL . . . -73.43 -46.7 46.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.104 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 12.3 p -63.91 -31.41 72.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.845 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.5 tp-100 -61.7 -35.78 79.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -64.7 -35.72 81.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 69.9 mt -64.82 -35.74 75.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.136 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.9 p -58.96 -43.52 91.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -60.62 -27.01 67.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.885 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 32.2 m-70 -106.81 17.96 22.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.4 tp -57.41 -26.16 60.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -92.53 -20.96 20.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.125 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -62.89 152.56 36.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.2 p -94.39 -47.68 6.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -87.01 101.29 13.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -102.39 133.17 47.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -116.0 123.38 47.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.4 tt -69.06 -28.64 40.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.179 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.34 -40.34 90.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.121 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.7 m -62.86 -29.27 70.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.631 HG12 HD21 ' A' ' 37' ' ' LEU . 58.2 t -70.8 -47.54 62.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.148 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.798 ' HA ' HD22 ' A' ' 37' ' ' LEU . . . -67.7 -49.46 62.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -60.99 -35.33 76.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.919 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -57.36 -34.64 69.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.73 HG21 HD13 ' A' ' 37' ' ' LEU . 19.5 m -100.77 21.25 2.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.114 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 61.3 m 51.47 41.23 28.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.532 ' HB2' HG23 ' A' ' 30' ' ' VAL . 1.3 mt -140.63 163.9 31.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 m -80.05 158.97 71.77 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.623 0.725 . . . . 0.0 110.876 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -38.72 7.45 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.716 2.277 . . . . 0.0 112.354 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 p -66.97 -46.84 73.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.9 mmt180 -70.01 -39.94 75.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.798 HD22 ' HA ' ' A' ' 27' ' ' ALA . 7.4 tp -68.74 -44.33 74.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.5 t -59.61 -40.33 87.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 20.5 t60 -59.27 -48.79 80.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.88 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.9 mt -72.03 -31.08 65.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.66 ' CD1' HG22 ' A' ' 49' ' ' VAL . 0.7 OUTLIER -61.29 -51.16 70.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.907 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.6 ttp180 -68.6 -26.19 65.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -78.25 -38.88 41.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 37.1 mm-40 -81.99 -40.28 22.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.934 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.615 HD21 ' CD1' ' A' ' 52' ' ' TRP . 0.2 OUTLIER -88.96 -15.0 35.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.16 9.51 48.55 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.518 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 25.1 pt -149.51 172.06 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.839 0.352 . . . . 0.0 111.117 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 14.8 m -77.11 145.9 37.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.66 HG22 ' CD1' ' A' ' 41' ' ' PHE . 59.9 t -53.71 -44.24 58.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.4 mp -62.11 -32.96 73.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.947 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.6 m -72.96 -45.06 60.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.615 ' CD1' HD21 ' A' ' 45' ' ' LEU . 59.5 t90 -58.55 -40.5 83.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.922 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 29.3 ttt85 -60.48 -47.15 87.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.853 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -65.99 -46.67 77.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -55.88 -37.65 69.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -66.0 -38.84 89.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.48 ' O ' HG11 ' A' ' 79' ' ' VAL . 11.5 mtp180 -58.17 -46.94 84.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.686 HG22 ' HD2' ' A' ' 62' ' ' LYS . 44.7 mm -73.05 -39.76 57.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.1 t -60.6 -40.92 93.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.5 tm0? -71.49 -38.24 71.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.89 -36.33 82.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.074 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.686 ' HD2' HG22 ' A' ' 58' ' ' ILE . 14.1 mttm -71.41 -33.03 69.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.5 tt -67.87 -50.03 58.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.927 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.637 HD21 HG13 ' A' ' 75' ' ' VAL . 2.4 pp -69.44 -37.67 77.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.961 HD21 HG21 ' A' ' 75' ' ' VAL . 21.4 mt -64.92 -28.73 69.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.7 m -70.41 -16.18 62.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.551 HG23 HG23 ' A' ' 68' ' ' THR . 7.2 t -122.68 1.55 9.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.127 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.551 HG23 HG23 ' A' ' 67' ' ' THR . 33.6 p -133.34 161.74 33.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.48 18.28 10.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 54.9 mtm -63.6 156.82 69.58 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.544 0.687 . . . . 0.0 110.885 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 155.0 67.34 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.709 2.273 . . . . 0.0 112.353 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 57.9 mt -51.82 -30.87 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.68 -47.19 70.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.103 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 99.3 m -66.3 -40.43 89.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.156 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.961 HG21 HD21 ' A' ' 65' ' ' LEU . 97.8 t -67.78 -43.43 86.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.142 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.67 -43.52 91.43 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.454 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 20.2 mtt-85 -57.69 -34.91 69.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.817 0.341 . . . . 0.0 110.895 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -69.13 -15.52 63.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.48 HG11 ' O ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -108.14 -1.85 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 179.926 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.9 27.89 11.87 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.484 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -105.72 117.21 33.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.846 0.355 . . . . 0.0 110.829 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -79.42 -31.52 42.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -111.3 118.45 35.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.514 ' CG ' HD22 ' A' ' 85' ' ' LEU . 14.3 pt20 -63.03 -32.4 73.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.932 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.514 HD22 ' CG ' ' A' ' 84' ' ' GLN . 4.3 mm? -66.18 -38.07 87.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -59.09 -48.88 79.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -53.55 -35.05 60.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.7 p -66.17 -37.5 85.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -62.87 -51.05 68.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.833 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 92.8 t -70.38 -45.59 74.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.092 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.676 ' CD2' HG23 ' A' ' 58' ' ' ILE . 34.2 t80 -61.48 -36.17 79.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 36.3 tttt -57.92 -48.36 80.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.2 pttp -76.01 -24.71 55.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' CYS . . . . . 0.481 ' SG ' HG21 ' A' ' 58' ' ' ILE . 13.5 t -55.31 -50.25 70.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 77.1 p -111.56 -8.96 14.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.97 -6.91 67.08 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.516 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.66 154.99 49.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.835 0.35 . . . . 0.0 111.095 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.66 162.9 31.66 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.682 0.753 . . . . 0.0 110.843 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -29.39 24.26 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.714 2.276 . . . . 0.0 112.35 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 37.5 p -67.45 -33.75 75.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.826 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.33 -47.86 46.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -62.06 -43.72 98.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 22.3 tpt85 -59.24 -32.75 70.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.03 -32.89 74.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 89.24 -9.12 78.15 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.482 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 6.4 t . . . . . 0 C--N 1.328 -0.35 0 CA-C-O 120.777 0.322 . . . . 0.0 110.859 -179.866 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.806 0.336 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -78.96 148.31 32.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.849 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -55.41 -43.22 75.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 42.0 mtt85 -62.04 -45.19 94.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.773 HG21 ' HG3' ' A' ' 44' ' ' GLN . 95.6 t -67.3 -39.01 81.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -55.05 -34.76 63.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -64.42 -36.61 84.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.55 -39.83 94.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 33.8 t -60.38 -34.96 74.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -63.66 -43.79 95.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.431 ' HD2' HG22 ' A' ' 26' ' ' VAL . 73.0 t80 -69.46 -46.34 66.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.9 mt -61.11 -36.53 73.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.151 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.7 p -58.51 -44.89 89.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.845 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -67.32 -31.59 71.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -94.05 17.83 11.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.694 HD11 ' HG3' ' A' ' 57' ' ' ARG . 6.2 tp -65.59 -26.99 68.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -93.37 -20.92 19.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.077 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -61.94 135.16 57.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.5 m -77.03 -51.27 11.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 48.8 m-20 -87.79 94.22 9.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.568 ' HZ ' HG21 ' A' ' 26' ' ' VAL . 16.2 t80 -80.26 136.94 36.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -115.94 97.65 6.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 7.4 tp -57.83 -29.29 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.64 98.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.2 m -63.0 -36.45 83.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.568 HG21 ' HZ ' ' A' ' 21' ' ' PHE . 39.3 t -63.49 -46.05 96.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.126 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.603 ' HA ' HD22 ' A' ' 37' ' ' LEU . . . -67.35 -45.4 76.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -61.38 -37.07 82.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.856 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -58.09 -34.77 70.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.487 HG23 ' HB2' ' A' ' 32' ' ' LEU . 15.3 m -98.68 20.05 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 3.7 t 51.3 36.73 16.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.535 ' O ' ' HB1' ' A' ' 27' ' ' ALA . 0.4 OUTLIER -135.78 164.17 28.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.9 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.0 159.99 61.54 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.686 0.755 . . . . 0.0 110.847 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -39.07 7.0 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.677 2.252 . . . . 0.0 112.384 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.9 t -67.33 -43.75 80.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.0 -44.2 63.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.603 HD22 ' HA ' ' A' ' 27' ' ' ALA . 22.1 tp -60.73 -44.64 96.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.4 t -60.08 -39.88 87.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 16.7 t60 -59.7 -48.72 80.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.895 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 67.2 mt -70.82 -32.1 69.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.949 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.545 ' CE1' HG13 ' A' ' 5' ' ' VAL . 0.4 OUTLIER -64.14 -35.02 79.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 179.919 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.71 -46.81 86.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -79.95 -32.94 39.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.773 ' HG3' HG21 ' A' ' 5' ' ' VAL . 58.7 mm-40 -70.13 -40.56 74.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.54 HD12 ' CD1' ' A' ' 52' ' ' TRP . 4.0 mm? -100.76 -9.63 21.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 73.21 0.79 54.66 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.471 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.43 HD11 ' HA ' ' A' ' 52' ' ' TRP . 32.4 pt -150.14 177.77 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.858 0.361 . . . . 0.0 111.11 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.94 144.46 41.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.0 p -53.36 -35.51 24.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.169 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 74.1 mt -62.69 -44.47 96.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.92 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.6 t -73.12 -39.3 65.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.54 ' CD1' HD12 ' A' ' 45' ' ' LEU . 79.0 t90 -58.41 -40.0 81.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.19 -45.62 87.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.913 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -65.89 -42.23 90.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -57.79 -43.38 85.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 51.5 mm-40 -66.02 -34.73 78.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.694 ' HG3' HD11 ' A' ' 16' ' ' LEU . 31.5 mtt180 -62.07 -46.75 87.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.554 HG21 ' SG ' ' A' ' 94' ' ' CYS . 41.6 mm -66.13 -45.26 90.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.143 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.5 t -63.48 -37.5 87.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 49.5 tp60 -71.33 -38.74 71.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.575 ' HB2' HG11 ' A' ' 79' ' ' VAL . . . -56.56 -37.65 70.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.139 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 46.9 mttt -62.99 -39.78 95.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.1 tt -63.77 -45.17 90.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.689 ' HA ' HG22 ' A' ' 67' ' ' THR . 1.2 mt -69.97 -44.18 69.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.938 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.627 ' HG ' HG11 ' A' ' 75' ' ' VAL . 6.8 mt -67.09 -25.36 66.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 57.7 m -90.8 -26.67 19.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.689 HG22 ' HA ' ' A' ' 64' ' ' LEU . 3.6 t -94.55 -12.23 27.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.144 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.628 HG23 HG23 ' A' ' 67' ' ' THR . 3.9 p -132.94 173.55 11.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.158 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.54 18.32 12.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 72.1 mtm -64.16 155.78 77.71 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.601 0.715 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.522 ' O ' HG23 ' A' ' 75' ' ' VAL . 53.7 Cg_endo -69.77 166.44 27.59 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.709 2.272 . . . . 0.0 112.35 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 40.4 mt -62.25 -30.73 49.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.129 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.5 -47.26 76.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 60.8 m -65.66 -50.22 65.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.17 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.627 HG11 ' HG ' ' A' ' 65' ' ' LEU . 45.0 t -57.38 -39.96 71.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.159 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.65 -32.07 58.19 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.488 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 24.2 mmm-85 -70.61 -33.6 71.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.865 0.364 . . . . 0.0 110.908 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -63.34 -31.85 73.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.575 HG11 ' HB2' ' A' ' 61' ' ' ALA . 16.0 m -90.27 11.94 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 74.82 28.39 62.96 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.478 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -123.09 116.9 24.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.868 0.366 . . . . 0.0 110.848 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -79.85 -31.38 40.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -88.78 118.61 28.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.49 ' HG3' HD22 ' A' ' 85' ' ' LEU . 12.6 pt20 -62.79 -40.66 98.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.933 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.49 HD22 ' HG3' ' A' ' 84' ' ' GLN . 3.8 mm? -63.41 -32.97 74.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.952 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -59.89 -48.04 83.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -66.8 -39.82 87.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.849 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 49.7 m -65.38 -36.6 84.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.3 mmm-85 -63.94 -51.19 65.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.844 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.407 HG13 ' N ' ' A' ' 91' ' ' PHE . 7.1 p -70.6 -40.56 77.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.407 ' N ' HG13 ' A' ' 90' ' ' VAL . 45.4 t80 -66.35 -35.84 81.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 53.4 tttt -57.73 -46.27 84.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.1 pttp -75.69 -24.55 56.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' CYS . . . . . 0.554 ' SG ' HG21 ' A' ' 58' ' ' ILE . 23.2 t -55.35 -50.01 70.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 28.9 p -111.61 -8.59 14.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 96.21 -7.51 66.77 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.545 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.73 153.89 49.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.726 0.298 . . . . 0.0 111.111 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.29 163.13 27.15 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.639 0.733 . . . . 0.0 110.889 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -29.82 23.34 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.656 2.238 . . . . 0.0 112.338 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.3 p -67.45 -33.75 75.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.89 -47.89 49.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -58.47 -37.62 75.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -68.17 -34.32 76.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.06 -33.82 76.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.114 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 86.39 11.95 71.0 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.498 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.328 -0.361 0 CA-C-O 120.773 0.32 . . . . 0.0 110.908 -179.917 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.742 0.306 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -82.53 148.49 28.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -56.89 -45.67 82.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.87 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.2 ttm-85 -60.26 -45.67 92.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.927 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.668 HG13 ' CE1' ' A' ' 41' ' ' PHE . 98.4 t -66.83 -38.46 81.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.75 -34.7 62.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -72.39 -33.22 67.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.405 ' HB1' ' CG1' ' A' ' 26' ' ' VAL . . . -71.16 -47.58 56.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.058 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 15.0 p -65.84 -31.64 72.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -63.68 -41.68 98.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.959 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -69.72 -44.11 70.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.933 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.486 HD11 HG11 ' A' ' 26' ' ' VAL . 51.0 mt -62.31 -38.33 80.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.099 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.3 t -62.47 -44.36 96.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -60.23 -37.88 81.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -96.86 17.93 15.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 31.7 tp -56.63 -26.24 55.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.0 -21.0 31.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -64.95 153.37 40.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.5 m -94.36 -51.01 4.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.824 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -81.17 107.9 14.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.539 ' HZ ' HG21 ' A' ' 26' ' ' VAL . 22.6 t80 -110.71 132.42 54.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -116.05 103.93 11.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.879 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 7.3 tp -57.08 -30.14 33.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.116 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.41 -42.18 98.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.087 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 70.7 m -62.98 -34.96 78.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.539 HG21 ' HZ ' ' A' ' 21' ' ' PHE . 91.8 t -67.2 -44.41 87.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.133 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.54 ' HA ' HD22 ' A' ' 37' ' ' LEU . . . -66.97 -43.8 82.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -62.11 -37.22 84.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -57.98 -34.78 70.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 32.6 m -97.0 17.06 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 4.6 t 51.48 38.82 23.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.537 ' O ' ' HB1' ' A' ' 27' ' ' ALA . 0.2 OUTLIER -140.94 163.86 31.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.931 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.405 ' H ' HD23 ' A' ' 32' ' ' LEU . 0.6 OUTLIER -83.63 160.28 59.2 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.745 0.784 . . . . 0.0 110.82 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -36.22 11.21 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.693 2.262 . . . . 0.0 112.318 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.0 t -67.14 -46.77 73.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.824 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.4 -44.85 61.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.54 HD22 ' HA ' ' A' ' 27' ' ' ALA . 21.7 tp -59.87 -44.26 94.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.7 t -59.68 -37.35 78.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.851 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 45.5 t-80 -59.82 -50.25 74.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.833 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.7 mt -72.38 -32.32 66.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.668 ' CE1' HG13 ' A' ' 5' ' ' VAL . 0.6 OUTLIER -57.61 -48.75 78.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.428 ' HA ' ' O ' ' A' ' 47' ' ' ILE . 0.4 OUTLIER -68.44 -25.32 64.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.3 tm0? -78.46 -40.48 35.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.9 mm-40 -82.03 -39.64 23.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.692 HD21 ' CD1' ' A' ' 52' ' ' TRP . 0.3 OUTLIER -88.33 -17.88 29.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 69.94 6.13 55.13 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.493 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.593 HG12 HD22 ' A' ' 45' ' ' LEU . 18.8 pt -147.23 174.42 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.847 0.356 . . . . 0.0 111.12 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.0 p -75.91 140.84 42.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.8 p -52.76 -43.39 44.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.105 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 83.1 mt -63.78 -32.65 74.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 27.4 t -73.09 -43.7 61.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.692 ' CD1' HD21 ' A' ' 45' ' ' LEU . 74.7 t90 -57.05 -40.51 76.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.975 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.7 ttp180 -58.33 -47.04 85.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.817 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -66.35 -38.18 87.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -66.63 -37.04 84.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -66.65 -45.0 80.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 19.4 ptt180 -70.99 -42.38 69.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.851 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.467 HG23 ' CD1' ' A' ' 91' ' ' PHE . 23.3 mm -66.96 -40.61 86.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.0 t -70.29 -33.48 71.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -71.5 -39.14 71.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.492 ' HB2' HG11 ' A' ' 79' ' ' VAL . . . -64.15 -46.85 82.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -71.68 -33.24 68.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.491 ' C ' HD13 ' A' ' 63' ' ' LEU . 3.1 tm? -67.99 -50.03 58.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.507 HD11 HG13 ' A' ' 75' ' ' VAL . 2.7 pp -70.03 -37.81 75.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.861 HD21 HG21 ' A' ' 75' ' ' VAL . 6.3 mt -55.09 -29.07 56.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.6 t -74.17 -34.02 63.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.422 HG22 ' HA ' ' A' ' 64' ' ' LEU . 8.7 t -98.74 7.8 45.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.166 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 64' ' ' LEU . 43.4 p -133.19 162.09 32.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.187 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.44 18.4 10.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 78.2 mtm -70.44 155.36 93.54 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.582 0.706 . . . . 0.0 110.85 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.516 ' O ' HG23 ' A' ' 75' ' ' VAL . 53.5 Cg_endo -69.78 153.04 69.31 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.618 2.212 . . . . 0.0 112.342 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 70.5 mt -52.47 -30.86 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.092 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.46 -47.2 73.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 99.1 m -67.59 -45.11 76.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.137 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.861 HG21 HD21 ' A' ' 65' ' ' LEU . 42.0 t -56.2 -40.54 65.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.122 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.484 ' O ' HG22 ' A' ' 79' ' ' VAL . . . -57.45 -42.89 94.08 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.475 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 66.6 mtt180 -57.43 -34.1 68.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.806 0.336 . . . . 0.0 110.845 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -61.31 -31.72 71.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.494 HG23 ' CD1' ' A' ' 81' ' ' PHE . 33.8 m -100.27 17.85 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.151 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 75.82 2.52 70.81 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.446 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.494 ' CD1' HG23 ' A' ' 79' ' ' VAL . 4.0 m-85 -82.4 117.14 22.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.865 0.364 . . . . 0.0 110.833 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -87.21 -31.55 20.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.92 119.07 31.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -62.49 -41.01 98.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 31.9 mt -69.07 -33.86 74.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -60.86 -40.59 93.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -66.66 -48.16 70.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 28.3 t -65.48 -37.26 86.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 43.5 mmm-85 -62.5 -51.4 67.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.824 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 89.7 t -70.84 -45.48 73.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.095 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.467 ' CD1' HG23 ' A' ' 58' ' ' ILE . 13.3 t80 -61.26 -35.47 77.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 63.6 tttt -56.83 -49.24 76.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 30.0 mttm -77.35 -25.71 51.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.97 -50.04 75.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.543 HG23 ' H ' ' A' ' 97' ' ' ALA . 1.9 t -104.94 -12.1 16.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.81 -8.47 68.2 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.521 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.543 ' H ' HG23 ' A' ' 95' ' ' THR . . . -137.76 153.78 49.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.764 0.316 . . . . 0.0 111.122 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.426 ' CB ' ' HD2' ' A' ' 99' ' ' PRO . 0.6 OUTLIER -69.23 166.37 29.94 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.728 0.775 . . . . 0.0 110.826 -179.789 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.426 ' HD2' ' CB ' ' A' ' 98' ' ' SER . 53.6 Cg_endo -69.78 -36.78 10.13 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.728 2.286 . . . . 0.0 112.306 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 67.9 m -68.61 -32.73 72.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.831 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -66.85 -48.23 69.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.941 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -58.01 -46.37 85.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 -71.9 -30.58 65.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.15 -27.13 68.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 82.42 12.0 81.15 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.522 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 9.2 t . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 120.775 0.321 . . . . 0.0 110.875 -179.892 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.1 ttt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.728 0.299 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.31 147.64 25.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.837 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 31.7 m120 -65.11 -28.71 69.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 33.0 mtt-85 -70.96 -49.43 45.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.817 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 31.1 m -69.16 -37.3 76.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.137 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.4 ttt-85 -54.11 -37.53 64.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.404 ' HB3' HG12 ' A' ' 30' ' ' VAL . 1.5 tp10 -72.39 -32.98 66.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.858 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.54 ' HB1' ' CG1' ' A' ' 26' ' ' VAL . . . -73.92 -47.25 39.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.153 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.564 ' HA ' HD12 ' A' ' 12' ' ' ILE . 12.8 p -62.18 -31.2 71.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 28.7 tp60 -68.52 -35.5 77.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.939 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -69.36 -43.79 72.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.975 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.564 HD12 ' HA ' ' A' ' 9' ' ' CYS . 5.6 mt -61.21 -36.06 70.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.14 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.9 t -57.14 -38.53 73.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -67.31 -33.84 76.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -99.09 17.96 18.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.892 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.9 tp -55.61 -26.24 43.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.947 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.12 -20.92 21.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.073 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -62.07 139.54 58.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.5 p -81.78 -51.61 7.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -85.27 107.28 17.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.867 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.579 ' HZ ' HG21 ' A' ' 26' ' ' VAL . 24.8 t80 -111.69 132.95 54.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -116.09 113.78 23.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.2 tt -64.13 -28.85 45.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.152 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.49 -44.96 92.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.072 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.5 m -62.97 -29.54 70.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.843 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.579 HG21 ' HZ ' ' A' ' 21' ' ' PHE . 88.0 t -68.72 -39.12 79.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.119 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.595 ' HB1' ' O ' ' A' ' 32' ' ' LEU . . . -67.18 -42.52 84.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.11 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -63.34 -37.16 86.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -58.02 -34.88 70.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.853 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.592 HG23 ' HB2' ' A' ' 32' ' ' LEU . 27.0 m -96.69 14.77 3.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.14 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 60.3 m 51.46 38.18 21.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.595 ' O ' ' HB1' ' A' ' 27' ' ' ALA . 1.2 mt -140.99 162.37 35.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.1 m -80.31 160.11 68.61 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.639 0.733 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -35.58 12.45 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.65 2.233 . . . . 0.0 112.381 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.6 m -67.0 -47.14 72.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 -72.75 -38.18 67.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.557 HD22 ' HA ' ' A' ' 27' ' ' ALA . 25.1 tp -69.41 -39.27 78.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 84.3 p -59.23 -39.97 84.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -59.51 -48.81 80.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.832 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.0 mt -71.21 -31.2 67.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.942 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.56 ' CD2' HG22 ' A' ' 49' ' ' VAL . 0.4 OUTLIER -67.81 -50.98 53.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.1 mtp180 -70.96 -27.58 63.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.859 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 20.4 tp60 -79.86 -39.96 29.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 74.7 mm-40 -80.9 -40.64 24.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.419 HD23 ' N ' ' A' ' 45' ' ' LEU . 4.6 mt -89.44 -18.72 26.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 78.75 -2.71 67.11 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.502 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.461 HD13 ' H ' ' A' ' 47' ' ' ILE . 0.1 OUTLIER -149.41 168.94 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.814 0.34 . . . . 0.0 111.139 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.5 m -76.54 155.5 33.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.843 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.56 HG22 ' CD2' ' A' ' 41' ' ' PHE . 35.2 t -53.59 -39.33 37.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -54.65 -44.22 73.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.8 m -73.14 -43.76 61.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -59.15 -40.55 85.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.951 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -60.17 -47.22 86.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.05 -38.28 87.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -67.06 -36.88 83.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 35.6 mm-40 -66.72 -45.08 79.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.7 ptt180 -70.26 -41.17 73.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 26.3 mm -70.4 -32.41 50.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.126 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.5 t -66.83 -39.4 87.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.837 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 39.1 tp60 -67.27 -40.6 86.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.465 ' HB2' HG11 ' A' ' 79' ' ' VAL . . . -57.09 -46.11 82.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp -71.38 -32.99 69.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.1 tt -67.22 -50.08 62.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.934 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.417 ' O ' HG23 ' A' ' 68' ' ' THR . 2.4 pp -69.92 -37.68 76.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 1.001 HD21 HG21 ' A' ' 75' ' ' VAL . 14.9 mt -64.79 -28.81 69.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 28.7 t -71.04 -17.31 62.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.541 HG23 HG23 ' A' ' 68' ' ' THR . 10.0 t -120.48 2.03 10.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.114 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.541 HG23 HG23 ' A' ' 67' ' ' THR . 35.5 p -133.23 161.66 33.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.156 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.49 18.42 10.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 59.6 mtm -62.54 156.28 63.85 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.626 0.727 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.5 ' O ' HG23 ' A' ' 75' ' ' VAL . 53.5 Cg_endo -69.8 166.46 27.56 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.695 2.264 . . . . 0.0 112.334 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 37.3 mm -61.51 -30.84 49.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.69 -47.23 76.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.3 m -69.07 -47.26 65.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.123 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 1.001 HG21 HD21 ' A' ' 65' ' ' LEU . 86.2 t -56.18 -40.76 66.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.156 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.481 ' O ' HG22 ' A' ' 79' ' ' VAL . . . -56.73 -41.69 90.58 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.457 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 69.7 mtt180 -57.54 -33.94 68.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.866 0.365 . . . . 0.0 110.89 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -63.7 -31.88 73.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.5 HG23 ' CD1' ' A' ' 81' ' ' PHE . 33.7 m -98.14 17.6 2.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 74.12 4.42 67.94 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.477 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.5 ' CD1' HG23 ' A' ' 79' ' ' VAL . 3.5 m-85 -82.5 116.99 22.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.863 0.363 . . . . 0.0 110.856 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -81.74 -31.67 31.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -99.5 119.07 37.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.469 ' H ' ' NE2' ' A' ' 84' ' ' GLN . 0.0 OUTLIER -62.28 -35.1 77.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.92 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.7 mt -69.62 -35.42 75.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.95 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -60.25 -40.52 90.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -66.85 -46.08 76.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.85 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.6 p -65.49 -37.39 86.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.8 mtt-85 -62.56 -51.03 68.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 92.7 t -70.6 -45.61 73.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.145 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -61.36 -35.73 78.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 55.3 tttt -56.98 -48.49 78.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.29 -25.62 55.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 3.8 t -57.91 -50.01 74.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 47.0 p -106.17 -11.05 16.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.11 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.73 -7.36 67.94 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.47 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.65 148.49 45.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.737 0.303 . . . . 0.0 111.125 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.13 162.45 39.33 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.664 0.745 . . . . 0.0 110.841 -179.755 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -32.58 18.44 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.658 2.238 . . . . 0.0 112.313 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.9 p -67.31 -34.12 76.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.63 -47.53 31.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -60.14 -45.97 91.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 25.5 tpt85 -59.3 -40.4 86.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.854 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -67.11 -26.45 66.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 89.71 -9.2 77.99 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.516 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 35.5 t . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 120.744 0.307 . . . . 0.0 110.873 -179.833 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.799 0.333 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -78.56 148.62 33.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -54.77 -32.86 60.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.0 tpp180 -70.94 -44.62 65.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.605 HG13 ' CD1' ' A' ' 41' ' ' PHE . 97.8 t -69.07 -39.7 79.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 -56.44 -35.19 67.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.71 -41.4 99.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.429 ' HB2' HG11 ' A' ' 30' ' ' VAL . . . -70.28 -36.28 74.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.058 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 66.5 m -60.24 -36.71 78.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.925 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 62.0 tp60 -61.38 -36.52 80.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.513 ' HD2' HG22 ' A' ' 26' ' ' VAL . 40.8 t80 -68.01 -44.07 77.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.9 mt -64.26 -36.95 78.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.123 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.4 t -66.34 -44.76 82.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -67.41 -25.33 65.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.877 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -100.49 18.05 20.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.817 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.0 tt -63.49 -26.52 68.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.53 -21.01 22.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.045 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.88 142.61 57.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.909 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.3 t -80.5 -48.35 12.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -84.49 97.6 9.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -107.77 108.58 19.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.572 ' OD2' ' HB3' ' A' ' 24' ' ' ALA . 1.0 OUTLIER -116.85 132.98 56.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 13.3 tt -69.25 -23.14 26.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.111 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.572 ' HB3' ' OD2' ' A' ' 22' ' ' ASP . . . -58.93 -40.88 85.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.9 t -70.12 -29.59 66.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.805 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.513 HG22 ' HD2' ' A' ' 11' ' ' TYR . 86.7 t -68.05 -47.21 79.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.12 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.598 ' HB1' ' O ' ' A' ' 32' ' ' LEU . . . -63.04 -40.16 96.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.083 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -63.97 -36.98 85.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -57.86 -34.59 69.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.429 HG11 ' HB2' ' A' ' 8' ' ' ALA . 27.9 m -98.49 16.11 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 87.2 m 51.52 36.63 17.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.598 ' O ' ' HB1' ' A' ' 27' ' ' ALA . 7.1 tp -136.14 164.42 28.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.3 m -81.94 159.67 65.24 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.643 0.735 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 -39.09 6.85 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.626 2.217 . . . . 0.0 112.294 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.0 t -64.62 -46.82 80.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.877 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.4 tpt180 -71.54 -35.16 70.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.0 tp -68.5 -44.52 74.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 75.7 m -59.44 -39.95 85.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -59.46 -49.09 79.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.4 mt -71.85 -32.04 67.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.605 ' CD1' HG13 ' A' ' 5' ' ' VAL . 0.6 OUTLIER -61.14 -50.63 72.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.925 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.433 ' HA ' ' O ' ' A' ' 47' ' ' ILE . 48.5 ttt180 -69.9 -23.88 63.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -78.78 -43.47 25.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 57.1 mm-40 -81.92 -40.46 22.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.536 HD21 ' CD1' ' A' ' 52' ' ' TRP . 0.3 OUTLIER -88.0 -14.55 38.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.35 4.54 51.46 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.489 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.444 ' CG1' HD22 ' A' ' 45' ' ' LEU . 28.2 pt -150.14 163.29 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.83 0.348 . . . . 0.0 111.107 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 t -74.38 146.15 43.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.7 p -54.27 -32.86 24.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.14 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.9 tp -62.79 -45.99 90.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.5 m -73.03 -38.55 66.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.536 ' CD1' HD21 ' A' ' 45' ' ' LEU . 43.6 t90 -58.28 -40.51 82.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.932 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -47.32 81.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -62.61 -46.31 88.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.37 -41.15 93.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.872 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -70.3 -34.98 73.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 -57.81 -47.07 83.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.575 HG21 ' SG ' ' A' ' 94' ' ' CYS . 50.1 mm -73.4 -45.01 53.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.142 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 60.4 m -58.54 -33.62 70.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 38.2 tp60 -70.06 -44.59 68.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.433 ' O ' HD12 ' A' ' 65' ' ' LEU . . . -70.77 -36.85 73.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.27 -43.55 64.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.7 tp -57.88 -50.54 72.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.918 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.47 HD12 ' OG1' ' A' ' 68' ' ' THR . 1.8 pp -68.95 -36.79 78.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.621 HD21 HG21 ' A' ' 75' ' ' VAL . 6.0 mt -59.81 -28.99 67.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 58.6 m -71.64 -26.01 62.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.452 HG23 HG23 ' A' ' 68' ' ' THR . 7.6 t -110.58 5.91 21.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.155 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.47 ' OG1' HD12 ' A' ' 64' ' ' LEU . 44.5 p -133.27 160.47 37.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.166 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.21 18.28 10.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.879 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 53.7 mtm -68.62 153.36 95.9 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.58 0.705 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 158.06 58.2 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.704 2.269 . . . . 0.0 112.322 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 6.0 mt -51.76 -35.4 17.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.441 ' HB2' ' OE1' ' A' ' 84' ' ' GLN . . . -59.54 -47.23 86.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.091 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 90.9 m -66.61 -49.07 67.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.196 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.621 HG21 HD21 ' A' ' 65' ' ' LEU . 39.5 t -57.96 -39.99 74.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.17 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.81 -32.48 58.99 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.489 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.5 -33.36 75.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.851 0.357 . . . . 0.0 110.93 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -66.07 -31.44 72.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 15.6 m -92.32 11.45 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.124 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 76.35 3.4 76.95 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.523 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -94.89 116.57 28.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.83 0.348 . . . . 0.0 110.894 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -85.5 -26.67 26.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -87.07 118.87 26.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.441 ' OE1' ' HB2' ' A' ' 73' ' ' ALA . 27.1 tt0 -62.62 -38.09 88.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -67.71 -32.98 73.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -62.12 -48.52 79.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -66.62 -43.69 84.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.928 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.8 p -64.79 -37.42 87.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.846 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 60.1 mtt180 -62.74 -50.44 71.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 88.9 t -70.22 -46.01 73.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.527 ' HD2' HG23 ' A' ' 58' ' ' ILE . 58.2 t80 -61.36 -36.29 79.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.63 -47.28 82.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? -75.55 -25.03 56.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.962 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' CYS . . . . . 0.575 ' SG ' HG21 ' A' ' 58' ' ' ILE . 13.5 t -55.4 -49.78 71.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 40.5 p -110.74 -8.87 14.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.93 -6.49 66.94 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.462 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.63 148.45 45.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.829 0.347 . . . . 0.0 111.128 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.1 162.14 42.0 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.663 0.744 . . . . 0.0 110.826 -179.786 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -32.26 19.12 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.73 2.287 . . . . 0.0 112.34 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.468 ' O ' ' HB2' ' A' ' 104' ' ' ALA . 54.7 p -67.28 -34.15 76.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -74.58 -47.69 31.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.925 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -65.72 -47.47 75.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.3 -30.12 70.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.468 ' HB2' ' O ' ' A' ' 100' ' ' SER . . . -60.53 -28.4 68.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 82.18 12.0 81.48 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.481 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 9.9 t . . . . . 0 C--N 1.328 -0.348 0 CA-C-O 120.796 0.331 . . . . 0.0 110.841 -179.852 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.73 0.3 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -79.08 148.49 32.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.828 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 30.3 m-20 -53.8 -45.43 70.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 31.0 mtm180 -59.28 -42.61 91.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.829 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.642 HG13 ' CD2' ' A' ' 41' ' ' PHE . 48.1 t -68.82 -38.64 79.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.09 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.95 -34.64 76.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -62.14 -34.66 76.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.468 ' O ' HD12 ' A' ' 12' ' ' ILE . . . -58.65 -35.88 73.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.7 t -59.64 -33.84 72.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 65.1 mm-40 -60.77 -43.64 97.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -69.55 -48.55 59.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.58 HD13 ' HZ3' ' A' ' 52' ' ' TRP . 5.8 mt -61.4 -35.95 69.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.112 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.1 t -57.28 -44.09 83.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.818 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -67.52 -34.55 77.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -95.73 17.93 14.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.7 tp -62.25 -26.43 68.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -93.48 -21.03 19.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.066 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -62.05 146.66 49.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m -88.79 -50.36 6.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -81.78 103.71 11.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -103.92 127.38 51.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -115.98 110.67 19.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.8 tt -57.16 -24.19 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.74 -44.9 90.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.13 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 72.7 m -64.2 -29.51 70.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.843 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.426 HG12 HD21 ' A' ' 37' ' ' LEU . 61.7 t -64.86 -48.01 86.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.08 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.769 ' HA ' HD22 ' A' ' 37' ' ' LEU . . . -67.56 -39.89 84.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -62.75 -37.21 85.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -57.95 -34.87 70.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.832 HG21 HD13 ' A' ' 37' ' ' LEU . 33.8 m -96.61 16.42 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 63.3 m 51.53 37.03 18.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.563 ' O ' ' HB1' ' A' ' 27' ' ' ALA . 12.0 tp -138.64 163.98 30.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.1 m -73.96 159.89 83.08 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.681 0.753 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.479 ' HA ' ' HB2' ' A' ' 27' ' ' ALA . 54.4 Cg_endo -69.71 -39.44 6.6 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.721 2.281 . . . . 0.0 112.346 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.7 m -67.57 -46.89 71.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.1 tpp180 -65.21 -43.09 92.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.857 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.832 HD13 HG21 ' A' ' 30' ' ' VAL . 13.0 tp -68.83 -44.3 73.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 83.6 p -59.9 -39.92 87.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 16.7 t60 -59.5 -48.94 79.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.0 mt -71.89 -31.46 66.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.642 ' CD2' HG13 ' A' ' 5' ' ' VAL . 0.6 OUTLIER -59.34 -50.23 74.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 27.9 ttp85 -68.5 -25.84 65.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -78.06 -40.43 38.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 41.2 mm-40 -81.48 -39.49 24.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.619 HD21 ' CD1' ' A' ' 52' ' ' TRP . 0.3 OUTLIER -88.53 -16.86 31.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.89 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 67.85 8.48 53.23 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.544 HG12 HD22 ' A' ' 45' ' ' LEU . 21.1 pt -149.36 172.34 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.835 0.35 . . . . 0.0 111.16 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 m -77.36 146.63 36.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.525 HG22 ' CD1' ' A' ' 41' ' ' PHE . 29.4 t -54.02 -40.07 44.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.114 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 34.5 mt -62.12 -37.43 85.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 18.0 t -72.81 -43.21 63.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.619 ' CD1' HD21 ' A' ' 45' ' ' LEU . 52.6 t90 -58.73 -42.49 88.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.19 -47.13 87.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -65.92 -43.54 87.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.9 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -55.16 -49.03 72.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 16.9 mm100 -66.24 -34.91 79.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 39.0 mtt180 -59.21 -45.59 90.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.592 HG23 ' HD2' ' A' ' 91' ' ' PHE . 50.9 mm -70.88 -45.26 74.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.142 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 24.2 t -59.38 -38.37 80.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.82 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -71.4 -38.45 71.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.503 ' HB2' HG11 ' A' ' 79' ' ' VAL . . . -63.72 -46.17 86.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.083 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -71.18 -33.39 69.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.1 tt -67.94 -50.11 57.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.955 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.601 HD11 HG13 ' A' ' 75' ' ' VAL . 2.5 pp -69.72 -37.74 76.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.913 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.747 HD21 HG21 ' A' ' 75' ' ' VAL . 7.0 mt -56.67 -28.97 61.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.0 p -74.46 -34.42 63.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.406 HG22 ' HA ' ' A' ' 64' ' ' LEU . 9.6 t -98.73 8.49 44.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.186 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.478 HG23 ' O ' ' A' ' 64' ' ' LEU . 48.7 p -133.31 159.43 40.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.14 18.34 10.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 61.4 mtm -73.68 155.38 89.13 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.567 0.699 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.547 ' O ' HG23 ' A' ' 75' ' ' VAL . 53.5 Cg_endo -69.75 162.43 42.1 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.693 2.262 . . . . 0.0 112.294 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 43.8 mm -57.26 -30.85 36.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.181 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.96 -47.17 78.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.078 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 45.3 m -70.41 -44.6 67.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.14 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.747 HG21 HD21 ' A' ' 65' ' ' LEU . 81.8 t -56.14 -40.6 65.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.089 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.48 ' O ' HG22 ' A' ' 79' ' ' VAL . . . -56.72 -40.79 89.46 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.514 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 26.4 mtp85 -57.74 -34.38 69.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.882 0.373 . . . . 0.0 110.862 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -62.09 -31.8 72.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.907 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.503 HG11 ' HB2' ' A' ' 61' ' ' ALA . 33.0 m -99.47 18.03 2.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.113 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 73.34 5.21 66.37 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.5 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.491 ' CD1' HG23 ' A' ' 79' ' ' VAL . 3.6 m-85 -83.15 116.95 22.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.337 . . . . 0.0 110.891 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.31 -31.47 23.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -94.16 119.23 32.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.425 ' HG3' HD22 ' A' ' 85' ' ' LEU . 5.8 pt20 -62.19 -40.77 97.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.927 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.425 HD22 ' HG3' ' A' ' 84' ' ' GLN . 4.0 mm? -68.89 -32.99 73.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -59.99 -41.7 92.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.429 ' CZ ' ' HB1' ' A' ' 61' ' ' ALA . 60.9 t80 -66.83 -45.69 77.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 77.3 p -65.46 -37.99 88.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.824 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.4 mtp180 -62.97 -50.55 70.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 88.3 t -69.94 -46.54 73.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.138 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.592 ' HD2' HG23 ' A' ' 58' ' ' ILE . 56.2 t80 -61.45 -34.94 76.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.875 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.55 -48.71 76.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.82 -25.61 56.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.587 ' SG ' HG21 ' A' ' 58' ' ' ILE . 6.3 t -55.8 -49.91 71.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 70.5 p -108.72 -10.46 15.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.85 -6.11 66.91 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.467 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.61 148.96 46.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.807 0.337 . . . . 0.0 111.067 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.34 162.33 42.02 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.664 0.745 . . . . 0.0 110.835 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -32.97 17.47 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.688 2.259 . . . . 0.0 112.351 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.4 t -67.43 -33.98 76.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -74.28 -47.52 34.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -60.74 -47.15 87.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 29.8 ttt180 -62.96 -37.68 88.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.833 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.15 -26.41 63.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 81.28 11.92 82.82 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.458 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 4.4 t -75.68 135.2 40.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.769 0.318 . . . . 0.0 110.867 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.848 -179.845 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.807 0.336 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -78.56 148.37 33.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.805 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -54.09 -45.44 71.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 72.5 mtm180 -61.04 -43.05 99.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.543 HG13 ' CD2' ' A' ' 41' ' ' PHE . 97.0 t -68.12 -37.82 78.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -54.4 -34.5 61.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -62.14 -38.61 89.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.416 ' HB1' ' CG1' ' A' ' 26' ' ' VAL . . . -58.97 -35.42 73.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.091 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 24.2 t -59.0 -34.02 71.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.822 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 41.4 tp60 -62.25 -45.93 91.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -69.83 -48.45 58.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 67.3 mt -61.14 -36.19 70.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.134 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.6 t -65.21 -41.81 94.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -66.82 -25.89 66.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -106.14 17.97 22.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.4 tp -58.77 -26.08 63.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -92.9 -20.98 20.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.084 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -63.25 145.35 55.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.823 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.2 p -82.08 -50.44 9.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -75.86 106.13 7.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -118.47 109.14 15.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.565 ' OD2' ' HB3' ' A' ' 24' ' ' ALA . 1.2 p-10 -116.55 132.68 56.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.85 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.3 tt -69.3 -22.78 26.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.152 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.565 ' HB3' ' OD2' ' A' ' 22' ' ' ASP . . . -58.7 -44.89 90.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.6 t -68.13 -31.34 70.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.818 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.416 ' CG1' ' HB1' ' A' ' 8' ' ' ALA . 26.2 t -69.81 -42.23 79.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.502 ' HB1' ' O ' ' A' ' 32' ' ' LEU . . . -66.82 -41.89 86.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -61.31 -37.06 81.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -57.88 -34.76 70.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.418 HG23 ' HB2' ' A' ' 32' ' ' LEU . 34.7 m -98.09 20.29 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.119 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 60.0 m 51.33 36.73 17.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.564 HD23 ' H ' ' A' ' 33' ' ' SER . 0.3 OUTLIER -136.21 164.24 28.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.963 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.564 ' H ' HD23 ' A' ' 32' ' ' LEU . 2.8 m -82.66 159.59 63.39 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.634 0.73 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -36.58 10.44 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.697 2.264 . . . . 0.0 112.329 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.4 t -66.8 -46.63 74.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.401 ' HB3' HD21 ' A' ' 32' ' ' LEU . 8.7 mmt85 -71.83 -38.63 70.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.92 -44.84 72.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.941 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.5 t -60.71 -41.22 94.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -59.41 -48.52 81.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 79.7 mt -71.42 -31.47 67.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.658 ' CD1' HG12 ' A' ' 49' ' ' VAL . 0.8 OUTLIER -57.72 -50.16 74.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.929 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -68.39 -25.29 64.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -77.97 -41.02 37.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -81.43 -39.29 25.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.663 HD21 ' CD1' ' A' ' 52' ' ' TRP . 0.2 OUTLIER -88.37 -16.93 31.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.939 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 67.96 8.06 52.13 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.465 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.533 ' CG1' HD22 ' A' ' 45' ' ' LEU . 24.7 pt -149.63 171.16 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.854 0.359 . . . . 0.0 111.136 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.31 146.44 36.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.658 HG12 ' CD1' ' A' ' 41' ' ' PHE . 27.4 m -53.93 -38.21 36.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.129 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.457 HD12 HG23 ' A' ' 49' ' ' VAL . 8.6 mp -62.7 -38.52 90.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.2 t -73.05 -42.86 62.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.663 ' CD1' HD21 ' A' ' 45' ' ' LEU . 49.9 t90 -58.63 -42.44 88.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.926 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.7 -47.18 87.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -66.12 -46.68 76.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.919 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -55.72 -44.66 77.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -69.54 -35.47 75.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.9 mtp180 -62.74 -46.17 89.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.84 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 47.6 mm -66.26 -43.95 91.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.4 t -67.75 -31.05 70.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 30.6 tp60 -68.74 -44.04 74.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.87 -43.23 85.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.087 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.7 mtpt -71.27 -33.3 69.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.942 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.4 tp -67.91 -50.05 58.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.943 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.433 HD11 HG13 ' A' ' 75' ' ' VAL . 2.3 pp -69.34 -37.47 77.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.97 HD21 HG21 ' A' ' 75' ' ' VAL . 13.3 mt -62.7 -28.73 70.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.3 t -75.44 -21.17 58.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.832 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.531 HG23 HG23 ' A' ' 68' ' ' THR . 4.6 t -110.35 0.56 18.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.103 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.531 HG23 HG23 ' A' ' 67' ' ' THR . 30.2 p -133.21 164.32 27.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.49 18.33 10.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.804 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 68.9 mtm -66.79 155.71 88.83 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.542 0.687 . . . . 0.0 110.876 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.616 ' O ' HG23 ' A' ' 75' ' ' VAL . 53.5 Cg_endo -69.77 166.39 27.78 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.679 2.252 . . . . 0.0 112.378 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.405 HG22 ' HG3' ' A' ' 84' ' ' GLN . 37.0 mt -62.7 -30.94 50.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.128 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.53 -47.19 79.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.068 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 95.7 m -70.05 -45.15 67.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.136 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.97 HG21 HD21 ' A' ' 65' ' ' LEU . 85.6 t -56.23 -40.52 65.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.116 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.494 ' O ' HG22 ' A' ' 79' ' ' VAL . . . -56.77 -44.29 91.81 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.452 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.4 mmm180 -57.71 -33.78 68.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.865 0.364 . . . . 0.0 110.865 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -61.3 -31.9 71.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.512 HG23 ' CD1' ' A' ' 81' ' ' PHE . 34.0 m -99.6 17.33 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.167 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 78.41 0.57 79.05 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.48 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.512 ' CD1' HG23 ' A' ' 79' ' ' VAL . 4.7 m-85 -83.43 117.06 22.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.875 0.369 . . . . 0.0 110.867 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -85.4 -31.48 22.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.884 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -93.11 118.49 31.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.405 ' HG3' HG22 ' A' ' 72' ' ' ILE . 40.1 tt0 -63.14 -41.21 99.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.913 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 18.5 mt -69.03 -32.61 72.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.932 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -60.03 -48.41 81.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.96 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -61.58 -46.67 88.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.4 m -65.22 -36.49 84.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 25.3 mtp85 -62.68 -51.76 65.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.917 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.7 p -71.18 -39.57 73.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -65.91 -36.04 82.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 18.1 ttpt -57.41 -48.12 79.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 33.6 mtpt -76.36 -25.55 54.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 2.2 m -59.06 -50.13 75.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 44.3 p -105.21 -10.4 17.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.63 -9.11 68.86 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.473 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.92 148.85 45.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.788 0.328 . . . . 0.0 111.151 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.09 162.74 36.41 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.672 0.748 . . . . 0.0 110.829 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -32.13 19.1 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.7 2.267 . . . . 0.0 112.335 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 48.4 t -67.41 -34.33 77.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -74.63 -47.76 30.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -58.58 -38.77 78.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.35 -37.7 86.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.67 -36.56 81.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 86.87 -9.13 73.18 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.505 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 31.5 p -54.46 137.12 43.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.799 0.333 . . . . 0.0 110.884 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.864 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 ttt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.81 0.338 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.72 148.3 22.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.855 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 26.1 t30 -64.92 -29.43 70.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -70.91 -49.78 42.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 27.5 m -69.84 -37.67 73.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.6 ttt-85 -59.09 -37.72 77.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.411 ' HB3' HG12 ' A' ' 30' ' ' VAL . 3.0 tp10 -62.22 -44.78 95.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.681 ' HB1' HG13 ' A' ' 26' ' ' VAL . . . -58.58 -35.65 72.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.131 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 94.3 m -59.6 -34.3 72.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.8 tm0? -61.32 -43.03 99.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -69.39 -44.7 70.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.973 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.6 mt -62.9 -43.72 99.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.126 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 60.2 m -58.57 -41.77 86.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -65.7 -35.54 81.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -96.73 17.92 15.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.667 HD11 ' HG3' ' A' ' 57' ' ' ARG . 14.2 tp -60.68 -27.83 68.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.942 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.66 -21.09 24.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.046 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.99 141.08 58.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.849 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.0 t -80.95 -51.06 8.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 20.1 m-20 -78.47 107.43 11.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -112.66 125.32 54.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.868 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -116.05 112.15 21.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.837 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.5 tt -55.46 -25.71 18.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.112 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.18 -42.31 94.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 65.7 m -63.01 -29.35 70.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.681 HG13 ' HB1' ' A' ' 8' ' ' ALA . 99.0 t -67.25 -50.66 61.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.157 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.772 ' HA ' HD22 ' A' ' 37' ' ' LEU . . . -67.24 -41.67 85.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.134 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -62.54 -37.13 84.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -57.99 -34.88 70.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.796 HG21 HD13 ' A' ' 37' ' ' LEU . 26.8 m -97.23 17.01 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.153 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 54.8 m 51.6 36.77 18.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.594 HD21 HH11 ' A' ' 36' ' ' ARG . 0.1 OUTLIER -137.56 164.03 29.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.899 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.36 157.74 84.4 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.675 0.75 . . . . 0.0 110.888 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.461 ' HA ' ' HB2' ' A' ' 27' ' ' ALA . 54.3 Cg_endo -69.73 -39.56 6.42 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.675 2.25 . . . . 0.0 112.35 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 72.5 m -67.65 -46.92 71.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.594 HH11 HD21 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -67.02 -41.66 86.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.906 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.796 HD13 HG21 ' A' ' 30' ' ' VAL . 11.8 tp -69.01 -44.48 72.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 86.7 p -59.97 -39.14 84.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 20.7 t60 -59.49 -49.22 78.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.8 mt -72.2 -31.95 66.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.951 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.518 ' HE2' ' HB3' ' A' ' 8' ' ' ALA . 0.7 OUTLIER -58.5 -49.92 75.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.871 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -68.25 -25.84 65.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.816 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -78.06 -40.51 38.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 -81.4 -39.44 24.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.929 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.591 HD21 ' CD1' ' A' ' 52' ' ' TRP . 0.3 OUTLIER -88.51 -16.82 31.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 67.39 9.01 53.89 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.526 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.562 HG12 HD22 ' A' ' 45' ' ' LEU . 20.2 pt -149.1 171.87 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.792 0.33 . . . . 0.0 111.149 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.3 p -77.2 149.27 35.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.2 t -54.13 -45.17 65.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.155 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.6 mp -60.71 -32.71 71.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.95 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.6 t -72.92 -45.83 55.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.591 ' CD1' HD21 ' A' ' 45' ' ' LEU . 69.7 t90 -59.08 -44.72 91.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -59.46 -47.06 86.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -65.96 -41.25 91.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -57.58 -45.68 84.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -70.16 -36.86 75.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.667 ' HG3' HD11 ' A' ' 16' ' ' LEU . 20.2 mtp180 -58.11 -46.68 85.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.627 HG21 ' SG ' ' A' ' 94' ' ' CYS . 50.1 mm -68.5 -38.42 79.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.8 p -65.21 -35.68 81.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -69.52 -39.56 77.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.475 ' O ' HD12 ' A' ' 65' ' ' LEU . . . -64.43 -46.14 84.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.12 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.591 ' HE3' HG22 ' A' ' 58' ' ' ILE . 15.4 ptpt -71.33 -33.28 69.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.403 ' C ' HD23 ' A' ' 63' ' ' LEU . 10.1 tt -67.94 -50.06 58.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.46 ' O ' HG23 ' A' ' 68' ' ' THR . 2.4 pp -69.64 -37.61 76.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.803 HD21 HG21 ' A' ' 75' ' ' VAL . 6.1 mt -57.17 -28.94 63.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.967 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.2 m -73.2 -24.65 60.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.834 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.465 HG23 HG23 ' A' ' 68' ' ' THR . 6.3 t -109.23 4.27 22.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.465 HG23 HG23 ' A' ' 67' ' ' THR . 29.5 p -133.22 162.01 32.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.146 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -122.39 18.24 10.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 56.7 mtm -68.38 153.54 95.48 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.565 0.697 . . . . 0.0 110.847 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.628 ' O ' HG23 ' A' ' 75' ' ' VAL . 54.3 Cg_endo -69.69 166.37 27.74 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.692 2.261 . . . . 0.0 112.366 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 41.8 mm -58.59 -30.96 42.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.146 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.43 -47.17 77.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.072 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.0 m -67.15 -48.46 67.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.206 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.803 HG21 HD21 ' A' ' 65' ' ' LEU . 27.8 t -56.3 -40.76 68.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.48 ' O ' HG22 ' A' ' 79' ' ' VAL . . . -56.62 -42.94 91.22 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.515 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 -57.23 -33.99 68.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.807 0.337 . . . . 0.0 110.861 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -63.53 -31.96 73.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.491 HG23 ' CD1' ' A' ' 81' ' ' PHE . 33.1 m -98.57 18.52 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.147 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 73.04 5.49 65.59 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.491 ' CD1' HG23 ' A' ' 79' ' ' VAL . 3.5 m-85 -83.24 116.93 22.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.868 0.366 . . . . 0.0 110.892 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -83.08 -31.5 27.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -95.72 119.18 33.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.919 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -62.24 -40.04 94.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 13.7 mt -68.88 -33.33 73.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -60.37 -41.55 93.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -66.66 -44.41 81.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.9 p -65.6 -37.41 86.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 16.5 mtp180 -62.97 -50.98 68.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 95.4 t -70.46 -45.7 73.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.557 ' CD2' HG23 ' A' ' 58' ' ' ILE . 34.1 t80 -61.44 -35.57 77.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.5 ttpt -56.82 -44.53 82.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -76.09 -25.68 55.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.627 ' SG ' HG21 ' A' ' 58' ' ' ILE . 36.1 t -59.43 -49.99 75.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 35.3 p -104.2 -10.95 17.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.16 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.67 -9.03 68.79 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.481 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.8 148.29 45.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.757 0.313 . . . . 0.0 111.113 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.85 162.58 35.91 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.688 0.756 . . . . 0.0 110.819 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -32.05 19.22 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.704 2.269 . . . . 0.0 112.335 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 55.1 p -67.51 -34.19 76.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -74.69 -47.7 30.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -58.53 -40.4 82.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.907 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 40.5 ttt180 -59.53 -39.13 82.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.24 -27.29 67.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.024 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 87.1 11.88 69.01 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.499 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 4.1 t -87.2 129.23 35.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.784 0.326 . . . . 0.0 110.882 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.905 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.78 0.324 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.594 ' HB3' HG23 ' A' ' 5' ' ' VAL . 1.1 t70 -78.66 148.61 33.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -53.82 -45.16 70.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -70.36 -41.08 73.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.832 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.638 HG13 ' CE2' ' A' ' 41' ' ' PHE . 96.6 t -62.65 -38.61 82.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.58 -37.71 88.37 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.893 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -62.37 -34.02 75.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.35 -35.3 77.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.074 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 33.7 t -59.13 -34.22 71.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -65.43 -45.28 84.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -69.63 -48.54 59.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.467 HG23 ' NH1' ' A' ' 53' ' ' ARG . 11.0 mt -61.26 -40.87 87.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.161 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.8 t -57.0 -43.41 81.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -67.4 -21.95 65.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -101.33 17.86 21.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.3 tt -60.04 -30.88 69.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.977 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -93.35 -21.02 19.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.097 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.96 151.1 35.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.3 m -97.9 -51.27 4.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.858 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -78.2 105.74 9.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.945 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -111.75 124.64 52.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.83 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -116.0 111.59 20.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 12.3 tt -54.94 -26.27 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.161 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.91 -42.71 98.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.088 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.9 m -63.0 -30.63 71.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 63.3 t -70.15 -37.79 72.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.049 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.598 ' HB1' ' O ' ' A' ' 32' ' ' LEU . . . -67.44 -48.72 66.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -61.73 -37.14 83.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -57.85 -34.81 70.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.643 HG21 HD13 ' A' ' 37' ' ' LEU . 32.2 m -97.46 14.43 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.156 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 41.7 m 51.54 36.47 17.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.598 ' O ' ' HB1' ' A' ' 27' ' ' ALA . 10.7 tp -141.17 158.73 43.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.1 158.63 86.95 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.706 0.765 . . . . 0.0 110.851 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -39.6 6.3 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.703 2.269 . . . . 0.0 112.353 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 40.7 t -67.77 -46.84 70.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.7 tpp180 -68.76 -40.71 79.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.643 HD13 HG21 ' A' ' 30' ' ' VAL . 23.8 tp -68.79 -44.46 73.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.6 m -59.86 -39.25 84.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -59.65 -49.1 79.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.849 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 30.2 mt -72.02 -31.58 66.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.953 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.638 ' CE2' HG13 ' A' ' 5' ' ' VAL . 0.6 OUTLIER -59.73 -50.39 74.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -68.5 -25.62 65.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 11.1 tp60 -78.16 -40.74 36.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 59.0 mm-40 -81.48 -39.45 24.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.646 HD21 ' CD1' ' A' ' 52' ' ' TRP . 0.3 OUTLIER -88.46 -17.09 31.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.0 8.18 52.78 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.455 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.578 HG12 HD22 ' A' ' 45' ' ' LEU . 21.8 pt -149.29 173.35 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.819 0.342 . . . . 0.0 111.15 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.3 m -77.37 146.92 36.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.526 HG22 ' CD1' ' A' ' 41' ' ' PHE . 29.5 t -54.02 -43.69 59.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.11 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.487 HD13 ' O ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -61.95 -33.74 74.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 29.3 m -72.95 -44.56 61.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.646 ' CD1' HD21 ' A' ' 45' ' ' LEU . 65.2 t90 -58.72 -42.04 87.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.467 ' NH1' HG23 ' A' ' 12' ' ' ILE . 4.8 ttt85 -58.19 -47.22 84.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.878 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -66.15 -39.54 89.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -66.73 -35.02 79.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -67.35 -45.31 76.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -71.12 -43.34 67.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 24.4 mm -65.24 -42.19 93.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.104 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 30.7 t -70.54 -31.85 69.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.827 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -70.71 -38.64 73.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.59 ' HB2' ' CG1' ' A' ' 79' ' ' VAL . . . -68.13 -45.89 72.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.088 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -71.84 -32.8 67.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.8 tt -58.13 -50.94 71.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.937 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.523 HD12 ' OG1' ' A' ' 68' ' ' THR . 1.6 pp -70.47 -36.57 73.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.664 HD12 HG11 ' A' ' 75' ' ' VAL . 0.3 OUTLIER -55.85 -28.89 58.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.951 179.862 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.5 t -71.93 -31.98 66.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.452 HG23 HG23 ' A' ' 68' ' ' THR . 7.3 t -102.83 6.06 39.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.148 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.523 ' OG1' HD12 ' A' ' 64' ' ' LEU . 46.1 p -133.36 168.13 19.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.39 18.23 10.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 66.7 mtm -68.49 153.54 95.57 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.586 0.707 . . . . 0.0 110.862 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.618 ' O ' HG23 ' A' ' 75' ' ' VAL . 53.8 Cg_endo -69.81 166.19 28.48 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.668 2.245 . . . . 0.0 112.355 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 39.8 mt -62.19 -30.92 49.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.096 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.38 -47.22 80.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.073 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 96.7 m -65.76 -48.91 70.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.171 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.664 HG11 HD12 ' A' ' 65' ' ' LEU . 35.3 t -56.18 -40.51 65.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.469 ' O ' HG22 ' A' ' 79' ' ' VAL . . . -59.07 -40.83 96.09 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.485 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -57.05 -34.14 67.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.847 0.356 . . . . 0.0 110.886 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -62.61 -31.69 72.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.59 ' CG1' ' HB2' ' A' ' 61' ' ' ALA . 33.7 m -99.77 18.74 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 73.12 5.17 65.15 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.459 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.483 ' CD1' HG23 ' A' ' 79' ' ' VAL . 3.3 m-85 -82.59 116.88 22.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.83 0.348 . . . . 0.0 110.862 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -88.84 -31.64 18.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -93.1 119.24 32.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.895 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -61.15 -40.71 94.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.96 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 20.4 mt -66.6 -33.09 74.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.935 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -61.13 -42.59 98.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -65.59 -46.65 78.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.847 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.7 m -65.55 -37.44 86.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -62.68 -51.08 68.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 92.3 t -70.59 -45.49 74.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.149 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -61.32 -35.93 78.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 59.1 tttt -57.21 -47.99 79.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.3 mtpm? -76.16 -25.65 55.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 2.2 m -59.61 -50.01 75.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 48.7 p -104.0 -11.18 17.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.179 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.66 -9.03 68.81 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.485 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.85 148.45 45.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.787 0.327 . . . . 0.0 111.131 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.01 162.6 37.08 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.662 0.744 . . . . 0.0 110.838 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -32.03 19.47 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.718 2.279 . . . . 0.0 112.323 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.1 m -67.51 -34.17 76.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -74.62 -47.71 30.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -61.76 -45.47 93.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 62.0 ttp85 -63.99 -30.52 71.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -77.02 -35.49 56.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.055 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 86.91 11.93 69.44 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.55 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 7.1 t -70.24 126.29 29.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 0.0 110.867 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.899 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.779 0.323 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -78.8 148.26 32.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.842 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 26.3 m120 -53.96 -45.34 71.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 48.8 mtm180 -66.25 -47.48 73.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.579 HG13 ' CD2' ' A' ' 41' ' ' PHE . 77.9 t -59.82 -39.34 79.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -34.81 78.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -62.29 -47.41 84.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.877 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.516 ' HB3' ' HE2' ' A' ' 41' ' ' PHE . . . -59.34 -35.94 74.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.177 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 89.4 m -59.9 -35.73 75.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 20.7 tp60 -62.23 -40.33 95.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -69.46 -45.89 67.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 60.3 mt -63.25 -35.98 74.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.09 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.2 p -66.34 -43.36 86.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.33 -30.09 69.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -95.75 17.91 14.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.601 HD11 ' HG3' ' A' ' 57' ' ' ARG . 6.4 tp -62.23 -25.44 67.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.56 -21.01 21.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -62.66 146.09 52.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.3 t -86.21 -50.81 6.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.856 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -81.38 108.28 14.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -110.23 117.68 34.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.938 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -116.03 116.42 27.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.9 tt -58.06 -24.53 24.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.5 -45.03 92.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.058 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 81.3 p -63.8 -29.51 70.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.839 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 99.1 t -65.61 -49.18 79.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.14 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.714 ' HA ' HD22 ' A' ' 37' ' ' LEU . . . -67.39 -34.99 78.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.078 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 56.0 tp60 -64.83 -37.23 86.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.931 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -60.95 -34.76 75.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.808 HG21 HD13 ' A' ' 37' ' ' LEU . 26.9 m -93.73 13.04 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.167 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 60.2 m 51.43 38.36 21.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.605 ' HB2' HG23 ' A' ' 30' ' ' VAL . 7.3 mt -140.99 164.2 30.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.7 m -71.76 157.72 89.15 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.65 0.738 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.469 ' HA ' ' HB2' ' A' ' 27' ' ' ALA . 53.7 Cg_endo -69.79 -39.42 6.47 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.668 2.245 . . . . 0.0 112.36 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.0 m -67.6 -46.77 71.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -65.7 -42.94 90.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.851 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.808 HD13 HG21 ' A' ' 30' ' ' VAL . 14.3 tp -68.82 -44.58 73.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 30.5 t -60.16 -39.11 85.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.833 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 16.3 t60 -59.48 -49.34 78.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.816 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 73.8 mt -72.2 -32.06 66.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.579 ' CD2' HG13 ' A' ' 5' ' ' VAL . 0.7 OUTLIER -57.61 -49.84 75.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -68.1 -25.66 65.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.866 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -77.94 -40.35 39.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 70.5 mm-40 -81.46 -39.41 24.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.638 HD21 ' CD1' ' A' ' 52' ' ' TRP . 0.2 OUTLIER -88.52 -17.1 31.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 -179.916 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 67.84 8.86 54.77 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.472 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.563 HG12 HD22 ' A' ' 45' ' ' LEU . 19.9 pt -149.06 172.67 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.861 0.362 . . . . 0.0 111.113 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.5 p -77.36 147.87 35.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.406 HG22 ' CD1' ' A' ' 41' ' ' PHE . 42.5 t -53.95 -43.67 58.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.109 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.5 mp -61.71 -33.86 74.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 30.2 t -72.88 -44.85 60.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.638 ' CD1' HD21 ' A' ' 45' ' ' LEU . 48.3 t90 -58.88 -41.18 86.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 36.0 ttp180 -61.13 -47.18 87.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -65.94 -46.74 77.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.04 -37.58 85.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -66.15 -39.12 89.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.949 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.601 ' HG3' HD11 ' A' ' 16' ' ' LEU . 10.3 mtp85 -59.34 -43.0 92.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.603 HG23 ' HD2' ' A' ' 91' ' ' PHE . 49.9 mm -67.88 -44.14 85.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.158 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.1 t -67.01 -31.03 71.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.2 tp60 -71.04 -44.29 66.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.713 ' HA ' HD12 ' A' ' 64' ' ' LEU . . . -56.81 -36.34 69.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.094 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.529 ' NZ ' HG22 ' A' ' 58' ' ' ILE . 37.0 mttp -61.81 -40.3 94.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.913 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 50.9 tp -62.62 -43.18 99.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.926 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.713 HD12 ' HA ' ' A' ' 61' ' ' ALA . 1.1 mt -70.12 -44.17 69.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.417 ' HG ' HG21 ' A' ' 75' ' ' VAL . 3.1 mt -67.44 -25.46 65.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 26.8 t -90.77 -26.5 19.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.688 HG22 ' HA ' ' A' ' 64' ' ' LEU . 3.7 t -94.57 -12.89 26.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.164 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.614 HG23 HG23 ' A' ' 67' ' ' THR . 4.1 p -131.96 173.58 11.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.152 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.74 18.38 12.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 71.3 mtm -65.09 153.72 88.47 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.553 0.692 . . . . 0.0 110.887 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.69 ' O ' HG23 ' A' ' 75' ' ' VAL . 53.3 Cg_endo -69.8 163.69 37.37 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.677 2.252 . . . . 0.0 112.306 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.448 HG22 ' HG3' ' A' ' 84' ' ' GLN . 47.8 mt -58.69 -30.94 43.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.17 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.35 -47.23 80.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.087 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 93.0 m -71.48 -40.5 70.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.132 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.69 HG23 ' O ' ' A' ' 71' ' ' PRO . 94.7 t -56.12 -40.68 65.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.118 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.472 ' O ' HG22 ' A' ' 79' ' ' VAL . . . -56.86 -40.16 89.49 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.485 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 64.2 mtt180 -58.67 -34.35 71.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -61.56 -31.88 71.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.531 HG11 ' HB2' ' A' ' 61' ' ' ALA . 33.4 m -99.35 17.32 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.144 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 73.82 4.83 67.7 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.485 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.48 ' CD1' HG23 ' A' ' 79' ' ' VAL . 3.5 m-85 -82.83 117.05 22.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.862 0.363 . . . . 0.0 110.889 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -82.62 -31.51 28.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -96.65 119.13 34.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.914 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.448 ' HG3' HG22 ' A' ' 72' ' ' ILE . 8.3 tt0 -62.41 -40.77 97.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.901 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 80.2 mt -66.38 -32.92 74.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -63.26 -42.6 99.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -66.69 -48.04 70.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 65.1 p -65.47 -37.31 86.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 36.0 mmm-85 -63.16 -51.04 68.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 85.9 t -70.57 -46.06 71.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.091 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.603 ' HD2' HG23 ' A' ' 58' ' ' ILE . 44.6 t80 -61.24 -35.84 78.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.21 -30.81 64.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.95 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -76.64 -25.41 53.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.401 ' SG ' HG21 ' A' ' 58' ' ' ILE . 43.3 t -63.55 -50.53 69.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.857 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 27.5 p -99.55 -12.62 19.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.27 -9.84 69.61 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.48 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -138.45 152.64 48.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 0.0 111.094 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.9 163.57 21.87 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.649 0.738 . . . . 0.0 110.854 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -27.01 27.35 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.689 2.26 . . . . 0.0 112.389 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.1 p -67.48 -33.65 75.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.17 -47.99 32.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.891 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -59.59 -42.04 91.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 33.0 ttp85 -58.17 -33.67 69.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -67.16 -31.23 71.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.073 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 82.39 11.99 81.21 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.487 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 4.6 t -69.25 130.24 42.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.754 0.311 . . . . 0.0 110.864 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.927 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.763 0.316 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -78.65 148.43 33.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -53.89 -39.38 65.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.03 -47.0 66.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.615 HG13 ' CE2' ' A' ' 41' ' ' PHE . 88.5 t -63.04 -38.8 83.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.23 -39.79 87.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -63.21 -37.62 87.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.566 ' HB1' HG13 ' A' ' 26' ' ' VAL . . . -58.7 -36.26 73.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.079 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 69.3 m -60.01 -34.27 73.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -60.93 -42.24 97.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -69.41 -44.67 70.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.3 mt -61.41 -37.38 77.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.118 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.7 p -63.36 -36.84 85.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.82 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -67.95 -18.61 64.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -110.92 17.99 19.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.605 HD13 ' O ' ' A' ' 16' ' ' LEU . 0.8 OUTLIER -52.79 -39.14 62.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.33 -20.94 43.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -62.11 154.34 27.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.1 m -101.1 -50.29 3.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -83.8 108.13 16.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.464 ' CZ ' HG21 ' A' ' 26' ' ' VAL . 14.1 t80 -90.46 134.61 34.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -116.0 103.38 10.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.7 tp -61.79 -26.39 39.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.13 -44.85 96.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.9 m -64.92 -29.49 70.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.839 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.566 HG13 ' HB1' ' A' ' 8' ' ' ALA . 62.6 t -66.18 -51.88 54.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.139 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.65 ' HA ' HD13 ' A' ' 37' ' ' LEU . . . -67.73 -44.55 77.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.109 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -61.24 -36.04 78.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -56.72 -34.73 67.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.419 HG23 ' HB2' ' A' ' 32' ' ' LEU . 32.8 m -98.94 22.01 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 54.6 m 51.62 36.58 17.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.529 HD23 ' H ' ' A' ' 33' ' ' SER . 0.4 OUTLIER -135.17 164.24 28.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.918 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.529 ' H ' HD23 ' A' ' 32' ' ' LEU . 4.4 m -79.68 157.87 73.96 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.655 0.74 . . . . 0.0 110.859 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.481 ' HA ' ' HB2' ' A' ' 27' ' ' ALA . 53.7 Cg_endo -69.78 -38.56 7.6 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.702 2.268 . . . . 0.0 112.309 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.2 t -66.88 -46.9 73.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.406 ' HB3' HD21 ' A' ' 32' ' ' LEU . 19.3 mmt180 -70.33 -39.11 74.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.65 HD13 ' HA ' ' A' ' 27' ' ' ALA . 0.3 OUTLIER -69.41 -44.46 71.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.2 t -59.84 -39.95 86.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.887 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -59.5 -48.91 79.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.821 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 77.8 mt -71.94 -31.74 66.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.615 ' CE2' HG13 ' A' ' 5' ' ' VAL . 0.6 OUTLIER -59.2 -50.32 74.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 24.0 ttp180 -68.38 -25.73 65.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -78.03 -40.55 38.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -81.42 -39.48 24.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.651 HD21 ' CD1' ' A' ' 52' ' ' TRP . 0.3 OUTLIER -88.39 -17.01 31.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.96 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.02 8.12 52.67 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.52 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.568 HG12 HD22 ' A' ' 45' ' ' LEU . 19.8 pt -149.13 172.73 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.804 0.335 . . . . 0.0 111.114 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.1 t -77.37 149.38 35.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.1 t -54.46 -44.8 69.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.128 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 75.9 mt -61.72 -32.22 72.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 47.3 t -72.76 -45.8 56.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.651 ' CD1' HD21 ' A' ' 45' ' ' LEU . 57.3 t90 -59.12 -40.54 85.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.8 ttt85 -60.69 -46.39 90.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -65.74 -46.7 77.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.84 -37.61 87.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -67.65 -34.61 77.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.3 mtp85 -57.52 -46.73 83.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.833 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.43 HG23 ' HD2' ' A' ' 91' ' ' PHE . 2.0 mp -70.94 -44.97 75.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.175 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.2 t -56.36 -38.35 71.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.0 tp60 -71.79 -43.09 66.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.93 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.687 ' HB2' HG11 ' A' ' 79' ' ' VAL . . . -61.5 -35.45 77.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -66.31 -33.02 74.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.8 tt -64.54 -52.41 57.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.956 HD11 HG13 ' A' ' 75' ' ' VAL . 2.2 pp -72.04 -37.47 69.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.886 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.789 HD12 HG21 ' A' ' 75' ' ' VAL . 0.6 OUTLIER -64.96 -28.9 69.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.8 t -75.94 -21.86 56.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.537 HG23 HG23 ' A' ' 68' ' ' THR . 5.2 t -108.99 0.22 19.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.153 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.537 HG23 HG23 ' A' ' 67' ' ' THR . 33.3 p -131.67 146.39 52.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -104.67 18.32 22.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 47.9 mtm -63.5 158.56 57.73 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.539 0.685 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 152.43 69.41 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.669 2.246 . . . . 0.0 112.361 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 66.1 mt -51.74 -30.96 12.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.34 -47.01 80.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.057 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 86.0 m -67.32 -50.24 60.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.176 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.956 HG13 HD11 ' A' ' 64' ' ' LEU . 33.6 t -60.44 -41.01 85.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.86 -32.41 62.11 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.509 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -70.52 -32.12 69.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.822 0.344 . . . . 0.0 110.87 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -59.36 -31.16 68.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.687 HG11 ' HB2' ' A' ' 61' ' ' ALA . 11.9 m -94.29 1.0 10.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.87 0.14 66.61 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.431 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -90.25 117.0 28.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.862 0.363 . . . . 0.0 110.892 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -86.6 -31.45 21.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.843 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -86.3 118.98 26.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -62.45 -38.35 89.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -68.89 -34.73 75.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -60.16 -47.92 83.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -63.37 -42.33 98.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.869 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.8 p -65.4 -37.7 87.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 62.8 mtm180 -62.94 -50.61 70.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.832 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 88.9 t -70.29 -45.89 73.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.154 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.43 ' HD2' HG23 ' A' ' 58' ' ' ILE . 42.2 t80 -61.37 -36.09 79.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.31 -48.26 79.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 50.4 mttm -76.26 -25.66 55.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 4.5 m -59.37 -50.02 75.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 68.3 p -104.33 -10.97 17.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.148 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.69 -9.07 68.72 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.506 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.84 148.24 45.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.777 0.322 . . . . 0.0 111.105 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.97 162.56 37.11 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.675 0.75 . . . . 0.0 110.875 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -31.82 19.87 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.729 2.286 . . . . 0.0 112.336 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.5 m -67.53 -34.21 76.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -74.7 -47.71 30.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -59.84 -42.41 93.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 30.1 ttt180 -68.31 -33.07 73.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -77.19 -25.2 51.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 83.67 11.98 78.63 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.532 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 43.5 t -75.22 132.24 40.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.758 0.313 . . . . 0.0 110.919 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.84 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.775 0.321 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.507 ' OD2' HG23 ' A' ' 5' ' ' VAL . 6.6 p-10 -78.71 149.16 32.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -53.48 -27.29 24.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.3 mtp180 -68.4 -50.21 54.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.614 HG13 ' CE2' ' A' ' 41' ' ' PHE . 67.8 t -70.2 -38.57 75.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -54.78 -42.09 71.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.941 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -62.93 -47.14 84.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.464 ' HB1' HG13 ' A' ' 26' ' ' VAL . . . -58.64 -35.71 72.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.092 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 23.3 m -59.6 -36.8 76.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -64.72 -36.86 85.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -67.86 -41.4 82.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.7 mt -61.2 -36.64 74.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.116 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.4 t -57.65 -34.49 69.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -67.26 -34.54 77.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.917 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 -93.7 17.88 11.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.664 HD11 ' HG3' ' A' ' 57' ' ' ARG . 5.1 tp -60.7 -31.37 70.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -93.95 -20.98 19.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.103 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -63.59 144.53 56.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.1 m -86.4 -51.3 6.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.825 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 66.1 m-80 -87.16 100.72 12.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.54 ' HZ ' HG21 ' A' ' 26' ' ' VAL . 41.0 t80 -88.06 136.49 32.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.07 95.25 5.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.1 tp -57.02 -23.74 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.159 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.68 -45.0 95.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.098 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.6 m -63.77 -29.37 70.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.543 HG12 HD21 ' A' ' 37' ' ' LEU . 76.5 t -65.66 -49.28 78.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.152 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.82 ' HA ' HD22 ' A' ' 37' ' ' LEU . . . -67.86 -41.9 82.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.072 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 51.4 tp60 -62.05 -37.16 83.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -57.93 -34.88 70.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.843 HG21 HD13 ' A' ' 37' ' ' LEU . 26.9 m -97.55 19.07 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.095 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 57.5 m 51.44 36.8 17.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.513 ' O ' ' HB1' ' A' ' 27' ' ' ALA . 18.3 tp -136.41 164.18 28.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.9 m -78.18 159.3 75.74 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.65 0.738 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.434 ' HA ' ' HB2' ' A' ' 27' ' ' ALA . 53.8 Cg_endo -69.79 -39.13 6.81 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.68 2.254 . . . . 0.0 112.359 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 63.1 m -67.37 -46.62 72.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 -68.53 -40.99 80.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.847 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.843 HD13 HG21 ' A' ' 30' ' ' VAL . 8.3 tp -68.87 -44.34 73.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 86.6 p -59.91 -40.4 88.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.828 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 16.9 t60 -59.55 -48.76 80.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.831 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 72.7 mt -71.68 -31.5 66.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.614 ' CE2' HG13 ' A' ' 5' ' ' VAL . 0.6 OUTLIER -59.12 -50.51 73.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -68.64 -25.48 64.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -77.92 -40.99 37.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.933 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -81.54 -39.39 24.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.631 HD21 ' CD1' ' A' ' 52' ' ' TRP . 0.3 OUTLIER -88.3 -16.95 31.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 67.7 8.05 50.73 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.514 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.561 HG12 HD22 ' A' ' 45' ' ' LEU . 24.1 pt -149.66 173.48 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.83 0.347 . . . . 0.0 111.148 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.3 p -77.52 147.03 36.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.577 HG22 ' CD1' ' A' ' 41' ' ' PHE . 28.9 t -53.99 -44.04 60.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.126 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.574 HD23 HH22 ' A' ' 53' ' ' ARG . 1.6 mt -62.11 -34.25 75.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.8 t -72.86 -43.54 62.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.631 ' CD1' HD21 ' A' ' 45' ' ' LEU . 44.8 t90 -58.62 -40.35 83.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.574 HH22 HD23 ' A' ' 50' ' ' LEU . 9.6 ttm105 -61.01 -46.98 88.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 58.4 tt0 -65.89 -45.68 81.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.842 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -61.81 -39.78 92.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -68.34 -35.21 77.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.945 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.664 ' HG3' HD11 ' A' ' 16' ' ' LEU . 85.3 mtt180 -58.68 -44.98 90.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 37.7 mm -64.32 -39.88 87.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.8 t -56.81 -43.19 80.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 29.0 tp60 -71.17 -38.29 72.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.93 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.05 -46.12 89.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.084 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -71.23 -33.25 69.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.403 HD13 ' O ' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -67.92 -50.13 57.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.92 179.887 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.416 HD11 HG13 ' A' ' 75' ' ' VAL . 2.5 pp -70.0 -37.66 75.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.885 HD21 HG21 ' A' ' 75' ' ' VAL . 11.0 mt -56.22 -29.03 60.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.5 m -73.26 -32.08 64.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.419 HG23 HG23 ' A' ' 68' ' ' THR . 8.2 t -101.52 6.86 42.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.15 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.419 HG23 HG23 ' A' ' 67' ' ' THR . 60.9 p -133.27 160.22 37.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.175 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.46 18.44 10.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.843 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 50.2 mtm -70.39 156.3 92.1 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.555 0.693 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 164.13 35.71 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.706 2.271 . . . . 0.0 112.343 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.434 HG22 ' HG3' ' A' ' 84' ' ' GLN . 63.7 mt -59.5 -30.89 45.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.105 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.47 -47.18 76.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.067 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 89.8 m -66.88 -50.14 63.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.885 HG21 HD21 ' A' ' 65' ' ' LEU . 64.7 t -56.32 -40.6 67.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.131 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.37 -32.53 60.76 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.487 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -70.82 -32.69 69.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.856 0.36 . . . . 0.0 110.911 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -60.23 -31.52 70.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 15.5 m -92.76 1.16 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.153 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 91.44 0.87 72.47 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.449 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -91.74 116.96 29.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.87 0.367 . . . . 0.0 110.905 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -82.42 -31.36 29.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.834 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -85.81 118.92 25.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.434 ' HG3' HG22 ' A' ' 72' ' ' ILE . 6.6 tt0 -62.59 -37.28 85.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 60.2 mt -68.12 -33.0 73.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -60.02 -47.68 84.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -66.25 -37.42 85.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 71.9 m -65.59 -37.26 86.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 62.6 mtp180 -63.99 -50.56 68.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 65.8 t -70.26 -42.99 78.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -64.39 -36.28 83.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 42.3 tttp -58.13 -47.34 83.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 11.3 pttt -75.52 -24.99 56.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 49.2 t -55.78 -49.91 71.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.847 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 23.4 p -110.05 -9.19 14.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 96.06 -6.51 66.6 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.516 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.75 147.64 44.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.815 0.341 . . . . 0.0 111.118 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.11 162.25 41.03 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.678 0.752 . . . . 0.0 110.857 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -31.82 19.83 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.651 2.234 . . . . 0.0 112.293 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.8 p -67.42 -34.31 76.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -74.72 -47.59 30.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.867 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -58.53 -37.86 76.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -41.18 91.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.869 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -74.88 -27.57 60.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.093 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 86.13 11.95 71.81 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.674 -0.775 . . . . 0.0 112.498 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 8.3 t -83.37 133.59 34.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.725 0.298 . . . . 0.0 110.882 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.886 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.767 0.318 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.469 ' HB3' HG23 ' A' ' 5' ' ' VAL . 2.9 t0 -78.79 148.58 32.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 70.5 m-20 -53.77 -44.4 70.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 22.6 mtm180 -70.81 -41.13 71.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.601 HG13 ' CE2' ' A' ' 41' ' ' PHE . 96.2 t -63.01 -39.09 83.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.157 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -38.43 77.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.72 -38.51 90.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.51 -35.44 72.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.07 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 21.4 t -59.42 -34.25 72.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.885 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 28.3 mm100 -65.42 -43.35 90.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.411 ' HD2' HG22 ' A' ' 26' ' ' VAL . 71.5 t80 -69.57 -48.63 59.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.946 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 66.1 mt -62.27 -41.85 93.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.149 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.5 t -62.93 -41.48 99.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.61 -30.22 70.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.903 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -99.08 17.83 18.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.646 HD12 ' HE ' ' A' ' 53' ' ' ARG . 29.0 tp -57.59 -25.2 59.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.939 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.04 -21.0 47.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.077 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -69.5 152.6 44.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 45.3 t -96.06 -51.11 4.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -82.37 108.89 16.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -82.0 134.07 35.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -115.99 95.08 4.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.859 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.6 tt -61.95 -25.78 38.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.15 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.39 -42.93 87.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.077 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 50.1 m -66.92 -29.95 69.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.411 HG22 ' HD2' ' A' ' 11' ' ' TYR . 84.3 t -68.73 -47.54 75.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.156 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.522 ' HB1' ' O ' ' A' ' 32' ' ' LEU . . . -65.41 -40.64 93.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 51.1 tp60 -62.12 -37.22 84.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.921 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -58.02 -34.82 70.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 34.4 m -97.43 18.92 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 2.3 t 51.49 36.71 17.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.522 ' O ' ' HB1' ' A' ' 27' ' ' ALA . 17.3 tp -136.42 164.1 28.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.949 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.1 m -81.46 159.87 66.1 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.651 0.739 . . . . 0.0 110.858 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -35.66 12.11 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.642 2.228 . . . . 0.0 112.296 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.6 p -67.33 -46.36 73.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.4 tpp85 -71.77 -38.39 70.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.856 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.49 -45.1 69.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 91.3 p -60.6 -41.46 94.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.828 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -59.46 -48.2 82.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 78.9 mt -71.38 -31.29 67.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.601 ' CE2' HG13 ' A' ' 5' ' ' VAL . 0.8 OUTLIER -59.82 -49.77 76.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.892 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.56 -26.26 65.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -78.23 -39.92 38.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -81.31 -39.64 24.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.957 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.651 HD21 ' CD1' ' A' ' 52' ' ' TRP . 0.2 OUTLIER -88.77 -16.33 32.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 67.27 9.21 53.99 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.45 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.536 ' CG1' HD22 ' A' ' 45' ' ' LEU . 23.3 pt -149.56 170.76 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.835 0.35 . . . . 0.0 111.132 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.6 m -77.07 147.65 36.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.503 HG12 ' CD1' ' A' ' 41' ' ' PHE . 16.0 m -53.8 -41.21 47.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.173 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 56.1 mt -62.22 -35.69 79.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.0 t -73.03 -44.15 61.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.651 ' CD1' HD21 ' A' ' 45' ' ' LEU . 60.1 t90 -58.92 -43.58 91.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.646 ' HE ' HD12 ' A' ' 16' ' ' LEU . 4.6 tpt180 -61.29 -45.74 93.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -66.15 -43.32 87.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.07 -45.59 90.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -70.05 -34.84 73.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 56.0 mtt180 -57.81 -42.84 85.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.611 HG21 ' SG ' ' A' ' 94' ' ' CYS . 44.3 mm -72.28 -45.44 61.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.178 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.2 t -60.27 -39.21 86.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.455 ' O ' HD12 ' A' ' 64' ' ' LEU . 5.7 tp60 -71.91 -44.28 63.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.786 ' HB2' HG11 ' A' ' 79' ' ' VAL . . . -62.3 -46.41 88.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.095 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -67.93 -33.14 74.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.1 tt -61.44 -49.77 75.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.919 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.706 ' HA ' HG22 ' A' ' 67' ' ' THR . 1.1 mt -70.11 -40.47 74.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.629 ' HG ' HG11 ' A' ' 75' ' ' VAL . 2.7 mt -63.47 -25.06 68.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.953 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 35.1 t -90.66 -27.53 18.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.886 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.706 HG22 ' HA ' ' A' ' 64' ' ' LEU . 2.3 t -94.45 -6.92 42.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.134 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.503 HG23 HG23 ' A' ' 67' ' ' THR . 10.8 p -133.27 173.66 11.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 25.6 mmm-85 -119.09 18.32 13.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.827 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 71.9 mtm -66.59 157.0 84.7 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.576 0.703 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.47 ' O ' HG23 ' A' ' 75' ' ' VAL . 54.0 Cg_endo -69.8 161.83 44.43 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.66 2.24 . . . . 0.0 112.341 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 50.3 mm -63.13 -30.9 50.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.177 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.19 -47.19 77.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.5 m -65.4 -50.21 66.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.17 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.629 HG11 ' HG ' ' A' ' 65' ' ' LEU . 45.5 t -59.86 -40.72 83.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.5 -32.64 61.25 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.495 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 65.0 mtt180 -71.49 -32.58 68.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.844 0.354 . . . . 0.0 110.847 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -59.94 -31.8 70.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.786 HG11 ' HB2' ' A' ' 61' ' ' ALA . 15.7 m -91.78 0.52 9.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.116 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.71 0.72 66.43 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -91.8 117.16 29.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.853 0.359 . . . . 0.0 110.868 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -86.14 -31.5 21.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -90.81 118.58 30.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.8 -34.19 76.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.947 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.467 HD13 ' NH2' ' A' ' 89' ' ' ARG . 19.5 mt -68.96 -35.66 77.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -64.69 -48.48 74.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -66.61 -44.99 80.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.877 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.5 m -65.39 -37.48 87.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.467 ' NH2' HD13 ' A' ' 85' ' ' LEU . 26.3 mtt180 -62.97 -50.54 70.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 93.5 t -70.23 -45.99 73.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.114 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.508 ' CD2' HG23 ' A' ' 58' ' ' ILE . 50.8 t80 -61.47 -36.16 79.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.51 -41.95 81.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 33.1 mttm -75.77 -25.54 56.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.611 ' SG ' HG21 ' A' ' 58' ' ' ILE . 11.5 t -55.92 -49.9 72.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 30.8 p -108.98 -9.33 15.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.18 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.99 -7.26 67.22 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.465 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.62 147.65 45.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.803 0.335 . . . . 0.0 111.082 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.1 162.32 40.23 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.707 0.765 . . . . 0.0 110.856 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -31.67 20.12 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.654 2.236 . . . . 0.0 112.365 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 27.3 t -67.46 -34.32 76.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -74.74 -47.61 30.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -59.91 -46.29 89.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 18.7 tpt180 -59.22 -40.49 85.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.841 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.36 -30.88 71.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 91.29 -9.07 78.41 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.505 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 37.7 t -55.57 120.5 7.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.726 0.298 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 18.6 pm0 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.91 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.768 0.318 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.43 ' HB3' HG23 ' A' ' 5' ' ' VAL . 3.9 t0 -78.62 148.65 33.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.874 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -53.68 -43.66 69.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.07 -40.17 92.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.707 HG13 ' CD2' ' A' ' 41' ' ' PHE . 40.3 t -68.95 -38.48 78.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.165 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.5 -34.76 77.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.903 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -62.12 -37.9 86.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.408 ' HB1' HG13 ' A' ' 26' ' ' VAL . . . -58.77 -35.84 73.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.11 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 32.5 t -59.7 -34.19 72.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -63.22 -44.2 95.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -69.45 -48.49 60.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.939 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 53.0 mt -61.25 -42.02 91.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.086 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 85.9 p -57.3 -37.53 72.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -67.32 -27.05 66.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -103.7 17.98 22.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.4 tt -56.6 -27.92 59.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -93.92 -20.96 19.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -68.78 149.11 49.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.4 t -93.4 -51.41 4.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -72.23 105.63 4.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -110.15 127.23 54.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -115.96 108.41 16.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.0 tp -54.93 -26.11 16.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.162 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.98 -44.86 91.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.15 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 71.9 m -63.41 -29.35 70.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.449 HG12 HD21 ' A' ' 37' ' ' LEU . 69.9 t -66.37 -50.24 69.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.124 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.79 ' HA ' HD22 ' A' ' 37' ' ' LEU . . . -67.69 -35.26 78.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -63.59 -37.16 86.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -57.98 -34.91 70.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.866 HG21 HD13 ' A' ' 37' ' ' LEU . 32.7 m -95.82 15.04 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.161 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 64.4 m 51.32 36.82 17.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.572 ' O ' ' HB1' ' A' ' 27' ' ' ALA . 1.5 tp -138.96 164.0 30.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.0 p -72.53 157.24 89.34 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.625 0.726 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.522 ' HA ' ' HB2' ' A' ' 27' ' ' ALA . 53.9 Cg_endo -69.75 -36.57 10.58 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.69 2.26 . . . . 0.0 112.354 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.3 p -65.75 -46.91 77.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.818 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.7 mmt85 -67.67 -44.89 76.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.866 HD13 HG21 ' A' ' 30' ' ' VAL . 11.5 tp -65.02 -45.16 86.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.951 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 39.1 m -60.16 -38.8 84.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 17.3 t60 -59.38 -49.45 77.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.3 mt -72.77 -31.41 64.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.707 ' CD2' HG13 ' A' ' 5' ' ' VAL . 1.0 OUTLIER -59.64 -50.7 72.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 55.2 ttt-85 -67.22 -26.32 66.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.5 tp-100 -78.69 -38.13 39.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -81.78 -40.56 22.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.538 HD21 ' CD1' ' A' ' 52' ' ' TRP . 0.1 OUTLIER -89.26 -15.04 34.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.06 10.13 50.43 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.507 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 22.1 pt -148.19 170.34 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.842 0.353 . . . . 0.0 111.108 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.2 t -77.34 149.61 35.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 27.5 t -54.63 -45.5 72.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.075 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.5 mp -62.3 -30.16 70.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.85 -46.75 51.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.538 ' CD1' HD21 ' A' ' 45' ' ' LEU . 60.8 t90 -59.17 -40.46 85.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.947 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.21 -47.27 83.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -66.13 -44.13 85.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -62.96 -37.65 87.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -68.32 -37.48 80.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.2 mtp180 -61.43 -42.51 98.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 48.8 mm -69.47 -45.35 78.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.8 t -66.34 -31.08 71.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -69.04 -43.8 73.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.583 ' HB2' HG11 ' A' ' 79' ' ' VAL . . . -60.27 -45.54 92.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.099 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 32.3 mtpt -71.29 -33.1 69.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.1 tp -67.88 -50.09 58.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.487 HD11 HG13 ' A' ' 75' ' ' VAL . 2.4 pp -69.79 -37.51 76.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.969 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.76 HD21 HG21 ' A' ' 75' ' ' VAL . 10.6 mt -59.61 -28.79 67.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.7 m -72.3 -26.1 61.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.813 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.441 HG23 HG23 ' A' ' 68' ' ' THR . 7.3 t -109.6 5.64 23.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.161 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.441 HG23 HG23 ' A' ' 67' ' ' THR . 69.8 p -133.18 159.1 41.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.183 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.48 18.41 10.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 48.2 mtm -68.31 157.47 87.54 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.565 0.698 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 165.12 32.05 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.7 2.266 . . . . 0.0 112.347 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 56.9 mt -60.22 -30.89 46.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.162 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.72 -47.04 79.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.059 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 23.6 m -68.93 -50.26 50.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.103 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.76 HG21 HD21 ' A' ' 65' ' ' LEU . 90.7 t -56.72 -40.9 73.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.125 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.529 ' O ' HG22 ' A' ' 79' ' ' VAL . . . -56.77 -32.51 61.94 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.48 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.9 tpp85 -71.53 -32.49 68.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.851 0.358 . . . . 0.0 110.87 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -60.19 -32.28 70.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.915 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.583 HG11 ' HB2' ' A' ' 61' ' ' ALA . 26.8 m -89.26 -1.67 9.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.106 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.1 25.63 16.4 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.441 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -123.8 116.68 23.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.854 0.359 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -82.49 -31.39 29.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -84.75 119.07 24.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.55 -40.59 97.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 34.6 mt -67.8 -33.26 74.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -62.1 -48.53 79.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -66.76 -42.66 85.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.3 p -65.44 -36.71 84.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 20.3 mtp85 -64.25 -50.91 66.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.865 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.416 HG13 ' N ' ' A' ' 91' ' ' PHE . 7.1 p -70.39 -40.83 78.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.149 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.416 ' N ' HG13 ' A' ' 90' ' ' VAL . 50.7 t80 -66.22 -36.43 83.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 57.7 tttt -57.88 -48.35 80.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.874 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -76.18 -25.66 55.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.894 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.7 m -57.75 -50.01 74.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 72.7 p -106.78 -9.74 16.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.8 -9.05 68.45 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.507 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.9 149.33 46.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.819 0.342 . . . . 0.0 111.08 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.07 162.4 39.38 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.612 0.72 . . . . 0.0 110.9 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -32.26 19.1 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.672 2.248 . . . . 0.0 112.371 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.7 t -67.49 -34.14 76.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -74.61 -47.7 30.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -61.6 -45.34 94.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 24.9 ptt180 -68.06 -32.43 72.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.822 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.97 -36.17 80.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.061 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 86.78 -9.15 72.8 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.5 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 31.3 p -70.52 138.19 50.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.783 0.325 . . . . 0.0 110.878 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -179.934 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 ttt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.805 0.336 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -103.02 148.39 25.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.842 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -64.96 -29.34 70.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 85.3 mmt-85 -70.77 -49.68 44.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 30.0 m -69.47 -37.88 75.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.12 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 25.2 ttt-85 -54.95 -45.63 74.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -65.96 -41.61 91.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.528 ' HB1' ' CG1' ' A' ' 26' ' ' VAL . . . -58.77 -36.46 74.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.09 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 71.6 m -60.34 -35.61 76.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -64.51 -42.96 95.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -69.2 -48.34 62.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 78.1 mt -61.57 -44.73 99.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.116 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.8 t -57.55 -36.6 71.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.825 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -67.35 -24.18 65.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -93.69 17.98 10.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 tt -57.81 -38.26 75.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.948 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.76 -21.06 25.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.121 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -79.71 154.53 28.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.4 t -99.56 -41.29 7.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -60.79 102.94 0.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -118.23 110.46 17.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -116.05 105.32 12.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.836 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 7.3 tt -54.99 -27.38 19.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.114 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.73 -42.37 95.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.145 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.9 m -63.22 -33.26 75.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.528 ' CG1' ' HB1' ' A' ' 8' ' ' ALA . 60.2 t -70.03 -37.88 73.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.564 ' HB1' ' O ' ' A' ' 32' ' ' LEU . . . -67.11 -48.72 67.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.06 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -61.56 -37.38 83.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -58.2 -34.8 70.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.803 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.755 HG21 HD13 ' A' ' 37' ' ' LEU . 34.6 m -97.64 16.85 2.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.12 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 84.8 m 51.63 38.4 22.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.564 ' O ' ' HB1' ' A' ' 27' ' ' ALA . 0.1 OUTLIER -140.75 162.93 34.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.1 m -81.79 160.43 63.89 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.691 0.758 . . . . 0.0 110.874 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -38.55 7.7 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.689 2.26 . . . . 0.0 112.347 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 74.3 m -64.41 -46.75 81.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.834 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 24.4 tpt180 -72.4 -44.88 61.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.755 HD13 HG21 ' A' ' 30' ' ' VAL . 13.0 tp -61.58 -44.4 97.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 95.7 p -60.09 -39.06 84.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -59.74 -48.66 80.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.844 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 68.4 mt -71.22 -31.88 68.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.83 -52.18 46.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.41 -27.21 64.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.904 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 11.3 tp-100 -78.02 -41.53 35.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.931 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -80.43 -39.07 28.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.42 ' N ' HD23 ' A' ' 45' ' ' LEU . 3.9 mt -88.71 -16.37 32.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.04 10.81 53.12 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.465 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 28.5 pt -149.67 167.14 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.841 0.353 . . . . 0.0 111.134 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 t -77.45 158.96 29.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 15.8 m -54.02 -41.25 49.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.172 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.7 tp -62.41 -33.71 75.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.8 m -72.91 -48.11 39.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 76.9 t90 -65.57 -44.49 86.56 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.942 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -58.22 -47.58 83.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -66.17 -38.47 88.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -54.48 -36.27 63.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -70.36 -33.9 71.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 38.5 mtm180 -61.29 -47.18 87.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.56 HG21 ' SG ' ' A' ' 94' ' ' CYS . 50.4 mm -73.71 -43.15 54.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.106 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.7 t -62.01 -37.53 85.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 34.9 tp60 -71.41 -44.56 64.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.965 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.728 ' HB2' HG11 ' A' ' 79' ' ' VAL . . . -66.71 -45.71 77.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.079 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.2 ptmt -67.63 -32.84 73.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.8 tt -64.22 -52.26 59.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.694 HD11 HG13 ' A' ' 75' ' ' VAL . 2.3 pp -71.99 -37.63 69.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.917 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.7 tt -60.69 -29.0 69.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.1 t -75.0 -26.43 59.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.433 HG23 HG23 ' A' ' 68' ' ' THR . 8.9 t -106.97 7.01 29.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.166 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.461 HG23 ' O ' ' A' ' 64' ' ' LEU . 52.6 p -133.28 151.5 51.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.157 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 52.2 ttt-85 -109.76 18.42 20.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 27.3 mtm -68.24 158.49 84.25 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.596 0.713 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.609 ' O ' HG23 ' A' ' 75' ' ' VAL . 53.1 Cg_endo -69.83 152.99 69.12 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.7 2.267 . . . . 0.0 112.301 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 44.6 mm -55.87 -30.9 28.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.12 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.83 -47.24 72.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.088 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.4 m -70.81 -42.77 69.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.694 HG13 HD11 ' A' ' 64' ' ' LEU . 83.3 t -56.12 -40.28 63.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.117 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.67 -39.64 91.46 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.485 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 62.8 mtp180 -56.58 -32.84 65.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.82 0.343 . . . . 0.0 110.902 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -66.22 -21.87 66.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.728 HG11 ' HB2' ' A' ' 61' ' ' ALA . 2.6 m -112.3 14.14 8.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.154 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 79.32 -0.09 81.49 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.501 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 23.4 m-30 -86.5 116.87 24.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.918 0.39 . . . . 0.0 110.868 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -92.03 -31.47 15.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.847 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -89.55 118.54 29.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -62.92 -36.64 84.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.949 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 37.6 mt -68.0 -33.12 74.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.937 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -63.87 -48.54 76.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -66.71 -43.93 82.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.855 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 60.4 p -65.38 -38.59 90.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.1 mtp85 -61.87 -50.61 71.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.869 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 98.2 t -70.4 -45.2 75.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -61.48 -36.53 80.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.7 ttpt -57.7 -48.37 79.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 54.7 mttt -76.16 -25.51 55.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.56 ' SG ' HG21 ' A' ' 58' ' ' ILE . 1.8 t -57.33 -50.02 74.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.865 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 80.5 p -107.5 -9.77 15.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.173 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.89 -8.06 67.83 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.77 148.25 45.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.785 0.326 . . . . 0.0 111.127 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.99 162.47 38.1 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.676 0.75 . . . . 0.0 110.868 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -32.18 19.1 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.713 2.276 . . . . 0.0 112.35 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.1 t -67.56 -34.08 76.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -74.61 -47.72 30.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -59.46 -46.62 88.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -67.77 -30.71 70.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.838 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.88 -28.89 70.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.077 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 92.67 -9.16 76.17 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.439 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 3.5 t -84.07 137.56 33.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.822 0.344 . . . . 0.0 110.865 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 -179.882 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 ttt . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.746 0.307 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -78.93 147.69 32.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -60.82 -45.11 95.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 23.6 mmt85 -59.33 -48.77 80.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.606 HG13 ' CD2' ' A' ' 41' ' ' PHE . 38.5 t -64.77 -38.59 83.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.11 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -67.92 -34.96 77.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.473 ' HB3' HG12 ' A' ' 30' ' ' VAL . 1.7 tp10 -62.33 -37.91 87.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.424 ' HB1' HG13 ' A' ' 26' ' ' VAL . . . -58.71 -36.32 74.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.09 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.8 t -60.2 -34.22 73.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.929 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -62.75 -43.24 99.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.925 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -69.5 -47.71 62.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.933 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.606 HG23 ' NH2' ' A' ' 53' ' ' ARG . 71.8 mt -61.18 -37.81 78.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.147 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 51.8 p -60.62 -42.0 95.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -67.45 -35.64 79.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.832 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -94.18 17.96 11.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.44 HD11 ' HG3' ' A' ' 57' ' ' ARG . 20.1 tp -59.93 -28.48 67.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -93.87 -20.99 19.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -61.96 144.09 55.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.9 m -87.5 -51.44 5.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -81.1 98.94 8.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.86 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -102.63 129.95 49.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -116.24 120.5 39.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.906 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.8 tt -62.64 -28.36 44.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.15 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.01 -41.4 87.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.05 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 70.2 m -62.94 -30.63 71.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.49 HG12 HD21 ' A' ' 37' ' ' LEU . 55.5 t -66.68 -48.92 78.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.125 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.721 ' HA ' HD22 ' A' ' 37' ' ' LEU . . . -67.3 -41.57 85.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.119 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 50.3 tp60 -62.6 -37.13 85.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -58.04 -34.86 70.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.834 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.812 HG21 HD13 ' A' ' 37' ' ' LEU . 32.6 m -96.45 16.54 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 88.0 m 51.4 38.47 21.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.546 ' O ' ' HB1' ' A' ' 27' ' ' ALA . 10.4 tp -140.94 163.71 32.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.2 m -72.12 159.75 84.57 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.687 0.756 . . . . 0.0 110.85 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.569 ' HA ' ' HB2' ' A' ' 27' ' ' ALA . 53.6 Cg_endo -69.79 -39.5 6.38 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.655 2.237 . . . . 0.0 112.306 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.1 m -67.7 -46.76 71.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.8 tpm_? -63.59 -44.85 92.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.838 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.812 HD13 HG21 ' A' ' 30' ' ' VAL . 14.7 tp -68.17 -44.64 75.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 27.5 t -60.41 -38.15 83.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 17.2 t60 -59.62 -49.2 78.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.858 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.4 mt -71.86 -32.47 67.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.606 ' CD2' HG13 ' A' ' 5' ' ' VAL . 0.5 OUTLIER -61.45 -50.06 74.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.44 -26.56 67.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.839 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.5 tm0? -78.65 -40.94 32.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -80.27 -39.46 28.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.456 HD12 ' CD1' ' A' ' 52' ' ' TRP . 4.1 mm? -88.73 -16.48 32.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 67.22 8.45 50.34 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.483 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 26.9 pt -149.97 173.58 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.844 0.354 . . . . 0.0 111.131 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.0 t -77.3 153.69 33.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 30.3 t -54.19 -41.83 53.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.116 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 50' ' ' LEU . 7.4 tp -61.55 -35.4 77.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.888 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.6 m -72.91 -48.02 40.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.456 ' CD1' HD12 ' A' ' 45' ' ' LEU . 61.8 t90 -59.94 -40.56 89.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.948 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.606 ' NH2' HG23 ' A' ' 12' ' ' ILE . 21.9 ttm-85 -58.45 -46.38 86.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -65.79 -44.63 85.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -55.69 -41.85 74.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.836 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 -67.95 -37.6 81.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.44 ' HG3' HD11 ' A' ' 16' ' ' LEU . 16.4 mtp180 -58.41 -41.93 86.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.89 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.632 HG21 ' SG ' ' A' ' 94' ' ' CYS . 50.0 mm -65.7 -44.85 93.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.1 t -66.83 -36.02 81.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.7 -43.66 83.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.65 ' HA ' HD12 ' A' ' 64' ' ' LEU . . . -56.81 -38.7 72.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.085 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.436 ' HE3' HG22 ' A' ' 58' ' ' ILE . 31.9 mttt -61.03 -39.72 90.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.408 ' O ' HD13 ' A' ' 63' ' ' LEU . 0.3 OUTLIER -61.9 -44.07 97.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 179.876 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.69 ' HA ' HG22 ' A' ' 67' ' ' THR . 1.1 mt -70.13 -44.46 68.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.557 ' HG ' HG21 ' A' ' 75' ' ' VAL . 1.7 mt -67.18 -25.53 66.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 57.8 m -90.77 -26.52 19.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.69 HG22 ' HA ' ' A' ' 64' ' ' LEU . 3.6 t -94.6 -12.7 26.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.142 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.619 HG23 HG23 ' A' ' 67' ' ' THR . 4.2 p -131.96 173.47 11.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.112 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.75 18.39 13.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 77.9 mtm -65.76 155.49 86.11 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.618 0.723 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.591 ' O ' HG23 ' A' ' 75' ' ' VAL . 53.7 Cg_endo -69.77 166.51 27.35 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.742 2.294 . . . . 0.0 112.335 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 34.4 mm -62.88 -31.02 50.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.15 -47.37 74.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 95.1 m -67.31 -45.9 75.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 71' ' ' PRO . 87.8 t -56.12 -40.29 63.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.098 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.478 ' O ' HG22 ' A' ' 79' ' ' VAL . . . -56.3 -43.9 89.53 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.488 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.49 -33.7 68.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.835 0.35 . . . . 0.0 110.877 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -63.16 -31.97 73.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.514 HG11 ' HB2' ' A' ' 61' ' ' ALA . 34.0 m -98.67 17.8 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 75.16 3.26 68.99 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.515 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.506 ' CD1' HG23 ' A' ' 79' ' ' VAL . 3.7 m-85 -82.29 117.14 22.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.909 0.385 . . . . 0.0 110.878 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -83.56 -31.55 26.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -97.5 118.94 35.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.478 ' HG3' HD22 ' A' ' 85' ' ' LEU . 8.5 pt20 -62.64 -40.69 97.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.478 HD22 ' HG3' ' A' ' 84' ' ' GLN . 4.1 mm? -66.49 -32.58 74.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.432 ' O ' HG12 ' A' ' 90' ' ' VAL . 5.5 t80 -59.84 -47.47 85.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -61.48 -46.47 89.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 92.1 p -65.58 -36.16 82.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 72.5 mtt180 -63.5 -51.73 64.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.871 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.432 HG12 ' O ' ' A' ' 86' ' ' TYR . 7.6 p -70.89 -40.29 76.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.153 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.472 ' CD2' HG23 ' A' ' 58' ' ' ILE . 39.1 t80 -66.14 -36.01 81.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -57.16 -48.54 78.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 32.9 mtpt -76.08 -25.37 55.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.632 ' SG ' HG21 ' A' ' 58' ' ' ILE . 39.3 t -55.67 -49.94 71.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 70.8 p -109.54 -9.97 14.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.92 -5.83 66.56 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.483 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.69 148.63 45.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.783 0.325 . . . . 0.0 111.118 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.18 162.47 39.51 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.681 0.753 . . . . 0.0 110.821 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -33.57 16.31 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.664 2.243 . . . . 0.0 112.336 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.1 m -67.25 -33.92 76.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.854 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -74.13 -47.55 35.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -58.8 -43.21 90.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 65.1 ttp85 -66.46 -36.57 83.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.834 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.95 -33.29 75.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.075 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 87.44 -9.2 74.3 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.507 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 42.7 t -71.68 130.28 40.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.737 0.303 . . . . 0.0 110.926 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.895 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 tpt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.745 0.307 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.576 ' HB3' HG23 ' A' ' 5' ' ' VAL . 10.4 t0 -78.91 144.59 34.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.85 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -60.1 -39.84 87.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -64.19 -46.18 85.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.576 HG23 ' HB3' ' A' ' 2' ' ' ASP . 80.7 t -57.48 -38.69 64.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -55.38 -45.57 76.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -64.75 -35.2 80.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.68 -36.3 73.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.111 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.8 t -60.24 -34.21 73.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -62.62 -47.07 85.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.921 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -69.49 -47.29 64.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 64.5 mt -61.32 -37.83 78.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.088 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.6 m -66.77 -44.67 80.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -66.54 -38.9 88.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -94.8 17.98 12.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.826 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.431 HD11 ' HG3' ' A' ' 57' ' ' ARG . 3.9 tp -62.48 -25.53 68.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.32 -21.03 21.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.081 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -62.59 138.63 58.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.816 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.5 m -79.67 -51.53 9.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.817 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -78.89 107.68 11.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -114.99 126.21 54.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -116.03 113.06 22.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.6 tp -55.08 -28.62 21.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.39 -42.38 95.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.085 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.0 m -62.99 -29.77 71.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.867 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.542 HG12 HD21 ' A' ' 37' ' ' LEU . 81.0 t -70.3 -39.23 76.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.152 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.735 ' HA ' HD22 ' A' ' 37' ' ' LEU . . . -67.2 -49.2 65.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -62.03 -36.88 82.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -57.71 -34.5 69.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.788 HG21 HD13 ' A' ' 37' ' ' LEU . 27.7 m -99.85 18.13 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.08 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 72.9 m 51.47 36.43 16.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.83 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.617 ' HB2' HG23 ' A' ' 30' ' ' VAL . 0.4 OUTLIER -136.64 164.05 29.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.955 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.02 159.98 69.63 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.708 0.766 . . . . 0.0 110.859 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -39.3 6.59 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.707 2.272 . . . . 0.0 112.363 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.1 m -67.89 -43.84 78.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.47 -44.91 61.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.869 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.788 HD13 HG21 ' A' ' 30' ' ' VAL . 15.8 tp -63.39 -44.36 94.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.6 t -59.85 -38.56 82.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -59.7 -48.93 79.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 38.5 mt -71.48 -32.19 67.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.927 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.573 ' CE2' HG13 ' A' ' 5' ' ' VAL . 0.3 OUTLIER -66.65 -52.07 49.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.0 ttp180 -70.45 -26.77 63.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? -78.14 -41.66 34.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 -80.7 -39.02 27.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.427 HD23 ' N ' ' A' ' 45' ' ' LEU . 3.9 mt -88.66 -16.71 31.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.85 9.29 52.33 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.463 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.403 HD11 ' HA ' ' A' ' 52' ' ' TRP . 27.5 pt -149.96 171.25 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.837 0.351 . . . . 0.0 111.123 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 33.8 m -77.24 154.14 33.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.869 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 37.6 t -54.17 -43.57 60.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.135 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.4 mp -61.6 -36.22 80.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.4 t -72.93 -44.91 60.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.403 ' HA ' HD11 ' A' ' 47' ' ' ILE . 37.4 t90 -59.2 -40.87 87.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.904 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -58.29 -47.15 84.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.872 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -57.25 -46.71 82.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -54.92 -41.73 71.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -70.11 -41.23 74.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.944 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.431 ' HG3' HD11 ' A' ' 16' ' ' LEU . 20.5 mtp180 -58.25 -46.78 85.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 42.8 mm -71.46 -45.59 67.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.9 t -59.27 -38.93 81.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.871 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.425 ' O ' HD12 ' A' ' 64' ' ' LEU . 31.7 tp60 -72.21 -44.61 62.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.756 ' HB2' HG11 ' A' ' 79' ' ' VAL . . . -61.76 -46.58 88.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -67.38 -33.14 74.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.933 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.412 ' C ' HD23 ' A' ' 63' ' ' LEU . 10.1 tt -62.54 -49.01 77.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.687 ' HA ' HG22 ' A' ' 67' ' ' THR . 1.1 mt -69.93 -41.25 74.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.608 ' HG ' HG21 ' A' ' 75' ' ' VAL . 6.5 mt -67.55 -25.27 65.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 58.2 m -90.42 -27.2 19.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.687 HG22 ' HA ' ' A' ' 64' ' ' LEU . 4.2 t -94.56 -12.51 27.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.155 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.655 HG23 HG23 ' A' ' 67' ' ' THR . 3.4 p -133.32 173.8 11.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.159 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.74 18.35 15.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 77.5 mtm -62.36 155.57 66.14 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.602 0.715 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.479 ' O ' HG23 ' A' ' 75' ' ' VAL . 53.8 Cg_endo -69.7 162.52 41.7 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.724 2.282 . . . . 0.0 112.373 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 41.5 mt -63.0 -30.78 50.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.171 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.69 -47.27 78.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.13 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 96.9 m -65.12 -50.1 67.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.153 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.608 HG21 ' HG ' ' A' ' 65' ' ' LEU . 42.5 t -59.27 -39.69 79.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.104 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.68 -32.1 58.29 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.485 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 62.7 mtp180 -67.38 -33.52 75.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.807 0.337 . . . . 0.0 110.856 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -63.77 -31.51 72.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.756 HG11 ' HB2' ' A' ' 61' ' ' ALA . 16.2 m -92.95 8.45 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.088 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 78.73 4.67 88.17 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.542 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -95.9 116.6 29.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.833 0.349 . . . . 0.0 110.913 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -82.12 -31.48 30.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -85.38 118.7 25.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -62.57 -36.4 82.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 21.8 mt -68.9 -33.03 73.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.936 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -59.38 -48.44 81.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.45 ' CZ ' ' HB1' ' A' ' 61' ' ' ALA . 34.4 t80 -66.73 -40.67 88.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.9 m -65.61 -37.86 87.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -62.73 -50.56 70.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 99.8 t -70.33 -46.07 72.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -61.36 -35.82 78.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 61.1 tttt -57.13 -47.89 80.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 38.6 mtpt -76.18 -25.77 55.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 16.5 m -60.41 -50.16 74.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 23.1 p -102.72 -11.61 18.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.162 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.61 -9.1 68.92 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.464 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.94 147.21 44.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.823 0.344 . . . . 0.0 111.076 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.77 162.55 35.66 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.594 0.712 . . . . 0.0 110.878 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -30.49 22.13 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.659 2.239 . . . . 0.0 112.321 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 29.9 t -67.52 -35.05 78.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.845 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.78 -47.71 29.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -61.0 -37.67 83.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.11 -42.32 94.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.39 -26.25 67.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.082 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 93.66 -9.18 73.91 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.526 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 2.0 t -69.8 127.9 34.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.815 0.34 . . . . 0.0 110.902 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 21.8 mp0 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.849 -179.845 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 ttt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.78 0.324 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.77 ' HB3' HG23 ' A' ' 5' ' ' VAL . 0.9 OUTLIER -78.86 148.34 32.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -56.5 -45.53 80.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.559 ' NH2' HD13 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -63.09 -34.44 77.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.839 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.77 HG23 ' HB3' ' A' ' 2' ' ' ASP . 89.4 t -60.26 -38.45 77.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.101 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -66.8 -38.23 86.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -72.12 -34.13 68.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.85 -46.72 43.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.11 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 10.6 p -62.74 -31.28 72.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.83 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 68.2 tp60 -63.34 -37.03 85.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -69.55 -41.94 75.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 63.6 mt -61.18 -41.82 90.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.1 p -57.41 -34.16 68.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -67.26 -25.77 66.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -107.98 17.95 21.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.9 tp -54.85 -41.65 71.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.03 -21.05 31.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.093 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -81.47 131.98 35.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m -77.37 -27.74 52.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -73.9 94.6 2.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -118.11 117.87 30.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -116.04 111.57 20.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.7 tt -54.98 -26.28 17.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.36 -43.49 97.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.2 m -63.1 -31.09 72.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.566 HG12 HD21 ' A' ' 37' ' ' LEU . 20.4 t -67.3 -48.61 77.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.126 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.554 ' HB1' ' O ' ' A' ' 32' ' ' LEU . . . -67.13 -41.25 86.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.121 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -63.0 -36.47 83.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -57.25 -33.06 67.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.2 m -100.91 18.28 3.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 66.1 m 51.2 40.87 27.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.559 HD13 ' NH2' ' A' ' 4' ' ' ARG . 0.1 OUTLIER -140.96 164.36 30.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.905 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.21 160.01 78.93 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.618 0.723 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.452 ' HA ' ' HB2' ' A' ' 27' ' ' ALA . 54.2 Cg_endo -69.73 -36.56 10.67 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.707 2.272 . . . . 0.0 112.392 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 55.0 p -65.24 -44.76 87.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -67.57 -41.27 84.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.566 HD21 HG12 ' A' ' 26' ' ' VAL . 24.0 tp -66.11 -44.3 84.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 71.1 p -60.05 -37.17 79.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 18.8 t60 -59.7 -49.8 76.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.556 HD12 HH11 ' A' ' 4' ' ' ARG . 5.7 mt -72.2 -30.92 65.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -63.04 -51.78 65.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 34.1 ttt180 -70.29 -26.28 63.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.51 -42.55 35.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -80.52 -38.58 29.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.932 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.433 HD23 ' N ' ' A' ' 45' ' ' LEU . 3.5 mt -88.4 -16.89 31.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.77 8.88 50.25 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.493 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 28.5 pt -150.18 171.33 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.798 0.332 . . . . 0.0 111.151 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.3 t -77.61 152.93 33.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.4 m -54.12 -40.26 45.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.18 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 39.0 mt -61.96 -36.05 80.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.4 m -72.99 -47.86 41.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 73.9 t90 -59.82 -47.25 86.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.924 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 33.2 ttp180 -58.3 -47.04 84.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.849 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -65.97 -44.62 84.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -54.68 -45.36 73.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -69.67 -34.94 74.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -59.22 -45.11 91.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.603 HG23 ' HD2' ' A' ' 91' ' ' PHE . 47.0 mm -59.24 -45.55 92.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.11 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.4 t -70.52 -31.38 68.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 50.0 tp60 -69.13 -38.93 79.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.887 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.738 ' HB2' ' CG1' ' A' ' 79' ' ' VAL . . . -68.01 -36.38 79.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.087 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.496 ' HD2' HG22 ' A' ' 58' ' ' ILE . 3.6 mtpm? -71.71 -32.35 67.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.6 -50.94 71.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.598 HD12 ' OG1' ' A' ' 68' ' ' THR . 1.6 pp -70.43 -36.57 74.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.598 HD12 HG11 ' A' ' 75' ' ' VAL . 0.3 OUTLIER -64.04 -28.81 70.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.957 179.855 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.9 t -68.63 -18.07 64.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.518 HG23 HG23 ' A' ' 68' ' ' THR . 8.5 t -122.56 2.61 9.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.137 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.598 ' OG1' HD12 ' A' ' 64' ' ' LEU . 35.8 p -132.39 162.66 30.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.171 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.49 18.46 10.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 63.7 mtm -60.64 157.29 38.61 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.516 0.674 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.411 ' O ' HG23 ' A' ' 75' ' ' VAL . 53.9 Cg_endo -69.72 166.46 27.47 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.665 2.243 . . . . 0.0 112.324 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 51.1 mm -62.42 -30.97 50.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.139 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.65 -47.2 79.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.09 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 28.7 m -67.64 -50.08 59.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.151 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.598 HG11 HD12 ' A' ' 65' ' ' LEU . 69.5 t -57.95 -40.67 77.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.071 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.21 -32.48 60.23 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.512 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.94 -32.41 69.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.827 0.346 . . . . 0.0 110.897 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -59.92 -31.58 69.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.738 ' CG1' ' HB2' ' A' ' 61' ' ' ALA . 13.8 m -92.63 1.08 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 92.96 0.59 68.29 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.523 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -91.53 117.11 29.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.841 0.353 . . . . 0.0 110.854 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -84.59 -31.51 24.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.83 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -89.66 118.48 29.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -63.13 -39.28 94.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.7 mt -63.43 -38.13 89.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -63.68 -45.49 89.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -66.62 -45.85 77.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.855 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 11.9 t -65.52 -37.59 87.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 65.7 mtt-85 -62.94 -50.69 69.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 99.6 t -70.37 -45.72 73.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.116 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.603 ' HD2' HG23 ' A' ' 58' ' ' ILE . 45.0 t80 -61.48 -36.06 79.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 27.0 tttm -57.31 -44.59 84.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 23.1 mtmm -75.76 -25.56 56.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.536 ' SG ' HG21 ' A' ' 58' ' ' ILE . 2.9 t -56.2 -49.92 72.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 19.3 p -108.49 -9.7 15.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.117 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.97 -7.4 67.33 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.491 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.73 148.25 45.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.783 0.325 . . . . 0.0 111.09 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.14 162.45 39.35 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.658 0.742 . . . . 0.0 110.869 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -32.37 18.71 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.676 2.251 . . . . 0.0 112.383 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 30.0 t -67.46 -34.06 76.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -74.52 -47.64 31.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -60.32 -43.96 95.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -63.88 -40.59 96.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.888 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.78 -33.83 74.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.082 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 89.24 -9.09 78.24 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.465 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 5.5 t -80.5 135.8 36.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.743 0.306 . . . . 0.0 110.91 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.875 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.718 0.294 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -78.48 148.99 33.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -53.47 -29.24 34.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 34.6 mtm180 -70.61 -49.07 51.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.422 HG13 ' CD2' ' A' ' 41' ' ' PHE . 99.5 t -69.38 -38.41 77.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.165 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.73 -34.36 62.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -71.66 -33.65 69.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.925 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.81 -46.92 56.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.102 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.782 ' HA ' HD12 ' A' ' 12' ' ' ILE . 13.8 p -65.68 -31.31 72.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 49.8 tp60 -64.33 -35.86 82.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -69.49 -37.29 77.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.782 HD12 ' HA ' ' A' ' 9' ' ' CYS . 31.8 mt -61.51 -36.89 76.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.12 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.3 p -58.62 -36.4 74.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.822 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -67.44 -27.11 66.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 34.0 m-70 -101.84 17.87 21.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.575 HD12 ' NH2' ' A' ' 53' ' ' ARG . 8.0 tt -60.9 -29.44 69.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.949 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -93.37 -20.91 19.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.079 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.82 131.22 46.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 39.3 m -73.44 -51.47 17.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -85.96 94.28 9.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -98.51 132.13 44.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -116.06 123.31 47.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.3 tt -68.95 -22.54 26.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.159 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.47 -42.96 99.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 21.1 m -62.81 -29.5 70.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.797 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.547 HG12 HD21 ' A' ' 37' ' ' LEU . 60.8 t -66.57 -50.07 69.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.122 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.798 ' HA ' HD22 ' A' ' 37' ' ' LEU . . . -67.5 -43.74 80.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.085 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -61.99 -36.55 81.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.934 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -57.53 -34.67 69.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.754 HG21 HD13 ' A' ' 37' ' ' LEU . 16.0 m -98.83 19.0 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 2.8 t 51.4 37.78 20.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.544 ' O ' ' HB1' ' A' ' 27' ' ' ALA . 1.4 mt -137.38 163.38 31.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.946 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.6 m -76.68 159.08 79.99 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.636 0.731 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.442 ' HA ' ' HB2' ' A' ' 27' ' ' ALA . 53.5 Cg_endo -69.81 -39.3 6.56 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.673 2.248 . . . . 0.0 112.377 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 83.3 p -67.58 -46.83 71.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.15 -41.45 86.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.843 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.798 HD22 ' HA ' ' A' ' 27' ' ' ALA . 11.1 tp -69.22 -44.47 71.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.923 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.3 t -59.8 -40.29 87.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 39.3 t-80 -59.52 -48.74 80.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.94 -31.57 66.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.525 ' CD1' HG22 ' A' ' 49' ' ' VAL . 0.7 OUTLIER -59.3 -50.38 74.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 179.911 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 49.8 ttt180 -68.44 -25.61 65.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 -77.95 -41.0 37.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -81.31 -39.4 25.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.631 HD21 ' CD1' ' A' ' 52' ' ' TRP . 0.3 OUTLIER -88.33 -16.91 31.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 67.76 8.25 51.88 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.462 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.543 HG12 HD22 ' A' ' 45' ' ' LEU . 24.0 pt -149.6 172.95 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.901 0.382 . . . . 0.0 111.099 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.8 m -77.24 147.57 36.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.525 HG22 ' CD1' ' A' ' 41' ' ' PHE . 30.3 t -54.04 -45.03 64.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.116 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.8 mp -62.0 -33.35 74.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.8 t -73.01 -43.83 61.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.631 ' CD1' HD21 ' A' ' 45' ' ' LEU . 60.4 t90 -58.68 -40.9 84.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.575 ' NH2' HD12 ' A' ' 16' ' ' LEU . 7.8 tpm_? -61.36 -46.59 89.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 55.8 tt0 -62.66 -46.64 87.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -57.85 -41.58 82.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 -69.94 -38.2 76.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.964 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 31.5 mtp180 -58.29 -41.11 83.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 51.2 mm -71.42 -45.48 68.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.9 t -62.76 -37.63 87.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.448 ' O ' HD12 ' A' ' 64' ' ' LEU . 7.8 tp60 -71.81 -44.25 64.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.75 ' HB2' HG11 ' A' ' 79' ' ' VAL . . . -57.16 -46.48 82.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.086 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.08 -33.14 73.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.405 ' O ' HD13 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -60.76 -49.53 77.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.676 ' HA ' HG22 ' A' ' 67' ' ' THR . 0.6 OUTLIER -69.92 -39.02 76.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 179.897 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.732 ' CD1' HG11 ' A' ' 75' ' ' VAL . 0.3 OUTLIER -66.65 -25.29 66.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.878 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.1 t -90.55 -26.71 19.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.676 HG22 ' HA ' ' A' ' 64' ' ' LEU . 3.0 t -94.57 -11.44 29.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.158 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.603 HG23 HG23 ' A' ' 67' ' ' THR . 4.8 p -133.09 173.66 11.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.169 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 -119.8 18.65 12.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.857 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 72.8 mtm -60.54 156.71 41.31 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.552 0.692 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.622 ' O ' HG23 ' A' ' 75' ' ' VAL . 53.6 Cg_endo -69.8 165.68 30.19 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.632 2.221 . . . . 0.0 112.352 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 33.6 mm -63.77 -31.0 51.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.86 -47.34 72.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.093 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 99.4 m -67.25 -46.59 73.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.732 HG11 ' CD1' ' A' ' 65' ' ' LEU . 94.3 t -56.13 -40.9 67.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.475 ' O ' HG22 ' A' ' 79' ' ' VAL . . . -58.41 -42.52 95.78 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.514 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 45.3 mtp85 -57.84 -34.34 69.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.811 0.339 . . . . 0.0 110.877 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -61.07 -31.71 71.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.75 HG11 ' HB2' ' A' ' 61' ' ' ALA . 33.5 m -100.3 17.54 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 74.16 4.56 68.58 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.488 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.494 ' CD1' HG23 ' A' ' 79' ' ' VAL . 3.7 m-85 -82.75 117.12 22.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.848 0.356 . . . . 0.0 110.923 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -83.25 -31.52 26.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -94.46 119.02 32.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -62.41 -41.06 98.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -69.2 -34.32 74.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -60.14 -41.51 92.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.587 ' CZ ' ' HB1' ' A' ' 61' ' ' ALA . 32.4 t80 -66.74 -45.43 78.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 62.9 p -65.52 -38.28 89.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 29.2 mtt-85 -62.98 -50.49 70.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.93 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 85.9 t -70.21 -45.64 74.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.106 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -61.23 -37.14 81.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -25.79 67.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.957 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 40.4 mttt -78.33 -25.26 46.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.48 -41.41 18.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.1 p -94.03 -15.73 24.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.16 -9.82 68.37 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.477 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -138.89 152.99 48.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.828 0.347 . . . . 0.0 111.099 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.79 162.95 32.17 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.672 0.749 . . . . 0.0 110.862 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -32.27 19.0 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.622 2.215 . . . . 0.0 112.368 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.7 t -67.79 -34.08 76.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.856 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -74.82 -47.98 27.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -59.76 -44.48 93.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 57.6 ttt-85 -59.35 -42.08 90.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.902 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -67.14 -28.53 68.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.074 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 88.25 -9.15 76.25 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.464 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 13.9 t -69.08 138.06 54.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.777 0.323 . . . . 0.0 110.864 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.868 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.2 tpt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.763 0.316 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.612 ' OD2' HG23 ' A' ' 5' ' ' VAL . 16.9 p-10 -78.79 145.62 34.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -64.84 -31.88 73.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -55.71 -50.07 71.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.713 HG13 ' CE2' ' A' ' 41' ' ' PHE . 68.0 t -70.09 -38.48 75.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -54.8 -35.67 64.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -67.63 -40.6 84.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.66 -36.28 73.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.099 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.3 t -60.16 -34.07 73.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 60.0 tp60 -61.99 -43.18 99.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -69.39 -48.47 61.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 61.6 mt -61.82 -40.44 86.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.155 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.7 t -57.35 -39.5 76.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -67.45 -26.67 66.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.906 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -108.6 18.02 21.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.7 tp -56.64 -26.17 55.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.949 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.39 -21.02 21.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -61.99 149.33 41.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.7 m -90.83 -50.94 5.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.828 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -82.19 106.51 14.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.491 ' HZ ' HG21 ' A' ' 26' ' ' VAL . 18.2 t80 -104.77 134.08 48.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.08 118.43 32.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.3 tp -69.15 -29.86 44.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.17 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.46 -42.94 97.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.079 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.8 m -62.99 -29.79 71.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.491 HG21 ' HZ ' ' A' ' 21' ' ' PHE . 48.1 t -70.42 -38.66 74.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.166 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.549 ' HB1' ' O ' ' A' ' 32' ' ' LEU . . . -67.38 -49.06 65.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -61.38 -36.92 81.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -57.64 -34.93 69.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.835 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.457 HG21 HD22 ' A' ' 37' ' ' LEU . 32.6 m -97.68 16.22 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.171 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 4.6 t 51.54 36.81 17.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.549 ' O ' ' HB1' ' A' ' 27' ' ' ALA . 20.2 tp -140.69 163.48 32.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.9 m -74.59 160.29 81.41 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.653 0.739 . . . . 0.0 110.854 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -39.04 6.93 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.664 2.242 . . . . 0.0 112.354 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.1 m -66.52 -46.74 75.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.4 mtm180 -66.38 -44.38 83.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.864 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.482 HD21 HG12 ' A' ' 26' ' ' VAL . 27.2 tp -66.64 -43.98 83.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 24.3 m -59.82 -38.65 82.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.831 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -59.76 -48.99 79.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 42.9 mt -71.65 -31.87 67.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.713 ' CE2' HG13 ' A' ' 5' ' ' VAL . 0.4 OUTLIER -63.39 -50.37 70.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.47 -27.05 66.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -79.27 -39.44 32.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 35.9 mm-40 -80.76 -40.26 25.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.5 HD12 ' CD1' ' A' ' 52' ' ' TRP . 4.0 mm? -89.14 -16.77 30.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.945 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 69.46 5.95 52.19 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.458 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 25.0 pt -149.78 175.85 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.886 0.374 . . . . 0.0 111.13 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 83.3 p -77.17 148.72 35.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.462 HG22 ' CD1' ' A' ' 41' ' ' PHE . 29.9 t -54.06 -38.89 39.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.096 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 50' ' ' LEU . 6.2 tp -61.15 -41.12 96.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.967 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.2 t -73.01 -42.04 63.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.5 ' CD1' HD12 ' A' ' 45' ' ' LEU . 66.1 t90 -59.51 -40.58 87.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.1 ttp180 -58.32 -46.68 85.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -65.87 -44.09 86.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.39 -37.78 88.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.89 -40.98 90.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.403 ' O ' HG12 ' A' ' 79' ' ' VAL . 12.9 mtp180 -58.15 -46.78 85.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.613 HG23 ' HD2' ' A' ' 91' ' ' PHE . 47.0 mm -62.08 -45.45 98.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.099 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.4 t -61.78 -37.26 83.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.469 ' O ' HD12 ' A' ' 64' ' ' LEU . 7.5 tp60 -71.41 -38.19 71.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.789 ' HB2' HG11 ' A' ' 79' ' ' VAL . . . -56.73 -36.27 69.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.123 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -70.2 -41.09 74.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.67 -48.68 80.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.7 ' HA ' HG22 ' A' ' 67' ' ' THR . 0.6 OUTLIER -68.55 -39.48 81.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.947 179.837 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.65 ' HG ' HG11 ' A' ' 75' ' ' VAL . 11.2 mt -67.93 -25.26 65.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.3 t -90.51 -26.74 19.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.7 HG22 ' HA ' ' A' ' 64' ' ' LEU . 3.8 t -94.63 -12.64 27.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.152 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.64 HG23 HG23 ' A' ' 67' ' ' THR . 3.7 p -133.04 173.71 11.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.8 18.45 12.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 73.2 mtm -61.75 156.04 57.7 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.529 0.68 . . . . 0.0 110.91 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.432 ' O ' HG23 ' A' ' 75' ' ' VAL . 54.0 Cg_endo -69.74 166.4 27.7 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.669 2.246 . . . . 0.0 112.326 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 37.9 mt -63.0 -30.88 50.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.179 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.43 -47.29 76.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 81.3 m -64.58 -50.2 68.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.191 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.65 HG11 ' HG ' ' A' ' 65' ' ' LEU . 48.3 t -59.68 -39.93 80.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.188 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.69 -32.17 58.39 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.426 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 67.7 mtp180 -70.42 -33.69 71.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.831 0.348 . . . . 0.0 110.862 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 48.6 m-20 -63.37 -31.64 72.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.789 HG11 ' HB2' ' A' ' 61' ' ' ALA . 15.9 m -90.77 13.05 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 73.53 28.49 65.45 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.492 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -122.95 116.82 24.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.81 0.338 . . . . 0.0 110.884 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -83.27 -31.55 26.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.911 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -84.11 118.06 23.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -63.51 -40.73 97.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.4 mp -67.68 -37.44 82.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.958 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.431 ' O ' HG12 ' A' ' 90' ' ' VAL . 5.3 t80 -60.09 -48.6 81.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.948 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -60.92 -45.53 94.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.4 p -65.77 -36.4 83.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 46.2 mtt-85 -64.15 -51.32 64.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.431 HG12 ' O ' ' A' ' 86' ' ' TYR . 7.3 p -70.47 -40.68 77.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.14 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.613 ' HD2' HG23 ' A' ' 58' ' ' ILE . 51.9 t80 -66.22 -36.16 82.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.36 -41.52 80.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.6 mtpp -75.81 -25.54 56.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.589 ' SG ' HG21 ' A' ' 58' ' ' ILE . 26.0 t -56.14 -49.89 72.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 30.8 p -108.74 -9.54 15.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.101 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.96 -7.04 67.2 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.71 147.13 44.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.82 0.343 . . . . 0.0 111.091 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.94 162.41 38.2 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.686 0.755 . . . . 0.0 110.853 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -31.86 19.7 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.633 2.222 . . . . 0.0 112.347 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 13.8 t -67.27 -34.47 77.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -74.65 -47.59 31.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -59.66 -44.45 93.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 12.8 ttt-85 -61.33 -35.58 77.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.46 -30.41 70.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.092 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 86.99 -9.14 73.54 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.437 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 16.5 m -89.19 121.14 31.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.786 0.327 . . . . 0.0 110.863 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 -179.879 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.1 tpp . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.765 0.317 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -78.64 146.37 34.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.859 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.38 -45.58 93.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.2 mtt85 -55.82 -48.89 74.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.509 HG13 ' CD2' ' A' ' 41' ' ' PHE . 46.1 t -69.19 -38.18 77.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.105 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -54.58 -34.57 62.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.79 -33.37 68.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.677 ' HB2' HG11 ' A' ' 30' ' ' VAL . . . -73.43 -46.7 46.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.104 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 12.3 p -63.91 -31.41 72.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.845 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.5 tp-100 -61.7 -35.78 79.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -64.7 -35.72 81.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 69.9 mt -64.82 -35.74 75.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.136 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.9 p -58.96 -43.52 91.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -60.62 -27.01 67.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.885 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 32.2 m-70 -106.81 17.96 22.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.4 tp -57.41 -26.16 60.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -92.53 -20.96 20.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.125 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -62.89 152.56 36.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.2 p -94.39 -47.68 6.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -87.01 101.29 13.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -102.39 133.17 47.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -116.0 123.38 47.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.4 tt -69.06 -28.64 40.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.179 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.34 -40.34 90.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.121 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.7 m -62.86 -29.27 70.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.631 HG12 HD21 ' A' ' 37' ' ' LEU . 58.2 t -70.8 -47.54 62.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.148 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.798 ' HA ' HD22 ' A' ' 37' ' ' LEU . . . -67.7 -49.46 62.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -60.99 -35.33 76.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.919 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -57.36 -34.64 69.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.73 HG21 HD13 ' A' ' 37' ' ' LEU . 19.5 m -100.77 21.25 2.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.114 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 61.3 m 51.47 41.23 28.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.532 ' HB2' HG23 ' A' ' 30' ' ' VAL . 1.3 mt -140.63 163.9 31.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 m -80.05 158.97 71.77 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.623 0.725 . . . . 0.0 110.876 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -38.72 7.45 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.716 2.277 . . . . 0.0 112.354 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 p -66.97 -46.84 73.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.9 mmt180 -70.01 -39.94 75.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.798 HD22 ' HA ' ' A' ' 27' ' ' ALA . 7.4 tp -68.74 -44.33 74.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.5 t -59.61 -40.33 87.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 20.5 t60 -59.27 -48.79 80.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.88 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.9 mt -72.03 -31.08 65.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.66 ' CD1' HG22 ' A' ' 49' ' ' VAL . 0.7 OUTLIER -61.29 -51.16 70.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.907 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.6 ttp180 -68.6 -26.19 65.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -78.25 -38.88 41.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 37.1 mm-40 -81.99 -40.28 22.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.934 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.615 HD21 ' CD1' ' A' ' 52' ' ' TRP . 0.2 OUTLIER -88.96 -15.0 35.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.16 9.51 48.55 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.518 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 25.1 pt -149.51 172.06 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.839 0.352 . . . . 0.0 111.117 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 14.8 m -77.11 145.9 37.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.66 HG22 ' CD1' ' A' ' 41' ' ' PHE . 59.9 t -53.71 -44.24 58.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.4 mp -62.11 -32.96 73.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.947 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.6 m -72.96 -45.06 60.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.615 ' CD1' HD21 ' A' ' 45' ' ' LEU . 59.5 t90 -58.55 -40.5 83.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.922 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 29.3 ttt85 -60.48 -47.15 87.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.853 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -65.99 -46.67 77.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -55.88 -37.65 69.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -66.0 -38.84 89.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.48 ' O ' HG11 ' A' ' 79' ' ' VAL . 11.5 mtp180 -58.17 -46.94 84.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.686 HG22 ' HD2' ' A' ' 62' ' ' LYS . 44.7 mm -73.05 -39.76 57.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.1 t -60.6 -40.92 93.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.5 tm0? -71.49 -38.24 71.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.89 -36.33 82.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.074 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.686 ' HD2' HG22 ' A' ' 58' ' ' ILE . 14.1 mttm -71.41 -33.03 69.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.5 tt -67.87 -50.03 58.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.927 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.637 HD21 HG13 ' A' ' 75' ' ' VAL . 2.4 pp -69.44 -37.67 77.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.961 HD21 HG21 ' A' ' 75' ' ' VAL . 21.4 mt -64.92 -28.73 69.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.7 m -70.41 -16.18 62.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.551 HG23 HG23 ' A' ' 68' ' ' THR . 7.2 t -122.68 1.55 9.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.127 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.551 HG23 HG23 ' A' ' 67' ' ' THR . 33.6 p -133.34 161.74 33.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.48 18.28 10.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 54.9 mtm -63.6 156.82 69.58 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.544 0.687 . . . . 0.0 110.885 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 155.0 67.34 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.709 2.273 . . . . 0.0 112.353 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 57.9 mt -51.82 -30.87 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.68 -47.19 70.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.103 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 99.3 m -66.3 -40.43 89.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.156 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.961 HG21 HD21 ' A' ' 65' ' ' LEU . 97.8 t -67.78 -43.43 86.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.142 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.67 -43.52 91.43 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.454 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 20.2 mtt-85 -57.69 -34.91 69.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.817 0.341 . . . . 0.0 110.895 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -69.13 -15.52 63.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.48 HG11 ' O ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -108.14 -1.85 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 179.926 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.9 27.89 11.87 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.484 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -105.72 117.21 33.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.846 0.355 . . . . 0.0 110.829 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -79.42 -31.52 42.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -111.3 118.45 35.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.514 ' CG ' HD22 ' A' ' 85' ' ' LEU . 14.3 pt20 -63.03 -32.4 73.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.932 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.514 HD22 ' CG ' ' A' ' 84' ' ' GLN . 4.3 mm? -66.18 -38.07 87.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -59.09 -48.88 79.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -53.55 -35.05 60.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.7 p -66.17 -37.5 85.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -62.87 -51.05 68.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.833 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 92.8 t -70.38 -45.59 74.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.092 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.676 ' CD2' HG23 ' A' ' 58' ' ' ILE . 34.2 t80 -61.48 -36.17 79.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 36.3 tttt -57.92 -48.36 80.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.2 pttp -76.01 -24.71 55.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.481 ' SG ' HG21 ' A' ' 58' ' ' ILE . 13.5 t -55.31 -50.25 70.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 77.1 p -111.56 -8.96 14.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.97 -6.91 67.08 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.516 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.66 154.99 49.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.835 0.35 . . . . 0.0 111.095 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.66 162.9 31.66 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.682 0.753 . . . . 0.0 110.843 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -29.39 24.26 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.714 2.276 . . . . 0.0 112.35 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 37.5 p -67.45 -33.75 75.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.826 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.33 -47.86 46.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -62.06 -43.72 98.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 22.3 tpt85 -59.24 -32.75 70.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.03 -32.89 74.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 89.24 -9.12 78.15 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.482 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 6.4 t -74.1 130.95 40.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.777 0.322 . . . . 0.0 110.859 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 -179.885 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.806 0.336 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -78.96 148.31 32.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.849 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -55.41 -43.22 75.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 42.0 mtt85 -62.04 -45.19 94.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.773 HG21 ' HG3' ' A' ' 44' ' ' GLN . 95.6 t -67.3 -39.01 81.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -55.05 -34.76 63.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -64.42 -36.61 84.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.55 -39.83 94.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 33.8 t -60.38 -34.96 74.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -63.66 -43.79 95.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.431 ' HD2' HG22 ' A' ' 26' ' ' VAL . 73.0 t80 -69.46 -46.34 66.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.9 mt -61.11 -36.53 73.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.151 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.7 p -58.51 -44.89 89.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.845 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -67.32 -31.59 71.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -94.05 17.83 11.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.694 HD11 ' HG3' ' A' ' 57' ' ' ARG . 6.2 tp -65.59 -26.99 68.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -93.37 -20.92 19.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.077 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -61.94 135.16 57.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.5 m -77.03 -51.27 11.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 48.8 m-20 -87.79 94.22 9.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.568 ' HZ ' HG21 ' A' ' 26' ' ' VAL . 16.2 t80 -80.26 136.94 36.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -115.94 97.65 6.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 7.4 tp -57.83 -29.29 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.64 98.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.2 m -63.0 -36.45 83.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.568 HG21 ' HZ ' ' A' ' 21' ' ' PHE . 39.3 t -63.49 -46.05 96.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.126 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.603 ' HA ' HD22 ' A' ' 37' ' ' LEU . . . -67.35 -45.4 76.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -61.38 -37.07 82.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.856 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -58.09 -34.77 70.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.487 HG23 ' HB2' ' A' ' 32' ' ' LEU . 15.3 m -98.68 20.05 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 3.7 t 51.3 36.73 16.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.535 ' O ' ' HB1' ' A' ' 27' ' ' ALA . 0.4 OUTLIER -135.78 164.17 28.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.9 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.0 159.99 61.54 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.686 0.755 . . . . 0.0 110.847 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -39.07 7.0 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.677 2.252 . . . . 0.0 112.384 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.9 t -67.33 -43.75 80.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.0 -44.2 63.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.603 HD22 ' HA ' ' A' ' 27' ' ' ALA . 22.1 tp -60.73 -44.64 96.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.4 t -60.08 -39.88 87.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 16.7 t60 -59.7 -48.72 80.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.895 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 67.2 mt -70.82 -32.1 69.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.949 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.545 ' CE1' HG13 ' A' ' 5' ' ' VAL . 0.4 OUTLIER -64.14 -35.02 79.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 179.919 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.71 -46.81 86.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -79.95 -32.94 39.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.773 ' HG3' HG21 ' A' ' 5' ' ' VAL . 58.7 mm-40 -70.13 -40.56 74.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.54 HD12 ' CD1' ' A' ' 52' ' ' TRP . 4.0 mm? -100.76 -9.63 21.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 73.21 0.79 54.66 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.471 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.43 HD11 ' HA ' ' A' ' 52' ' ' TRP . 32.4 pt -150.14 177.77 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.858 0.361 . . . . 0.0 111.11 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.94 144.46 41.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.0 p -53.36 -35.51 24.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.169 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 74.1 mt -62.69 -44.47 96.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.92 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.6 t -73.12 -39.3 65.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.54 ' CD1' HD12 ' A' ' 45' ' ' LEU . 79.0 t90 -58.41 -40.0 81.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.19 -45.62 87.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.913 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -65.89 -42.23 90.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -57.79 -43.38 85.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 51.5 mm-40 -66.02 -34.73 78.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.694 ' HG3' HD11 ' A' ' 16' ' ' LEU . 31.5 mtt180 -62.07 -46.75 87.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.554 HG21 ' SG ' ' A' ' 94' ' ' CYS . 41.6 mm -66.13 -45.26 90.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.143 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.5 t -63.48 -37.5 87.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 49.5 tp60 -71.33 -38.74 71.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.575 ' HB2' HG11 ' A' ' 79' ' ' VAL . . . -56.56 -37.65 70.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.139 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 46.9 mttt -62.99 -39.78 95.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.1 tt -63.77 -45.17 90.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.689 ' HA ' HG22 ' A' ' 67' ' ' THR . 1.2 mt -69.97 -44.18 69.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.938 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.627 ' HG ' HG11 ' A' ' 75' ' ' VAL . 6.8 mt -67.09 -25.36 66.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 57.7 m -90.8 -26.67 19.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.689 HG22 ' HA ' ' A' ' 64' ' ' LEU . 3.6 t -94.55 -12.23 27.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.144 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.628 HG23 HG23 ' A' ' 67' ' ' THR . 3.9 p -132.94 173.55 11.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.158 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.54 18.32 12.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 72.1 mtm -64.16 155.78 77.71 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.601 0.715 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.522 ' O ' HG23 ' A' ' 75' ' ' VAL . 53.7 Cg_endo -69.77 166.44 27.59 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.709 2.272 . . . . 0.0 112.35 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 40.4 mt -62.25 -30.73 49.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.129 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.5 -47.26 76.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 60.8 m -65.66 -50.22 65.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.17 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.627 HG11 ' HG ' ' A' ' 65' ' ' LEU . 45.0 t -57.38 -39.96 71.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.159 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.65 -32.07 58.19 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.488 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 24.2 mmm-85 -70.61 -33.6 71.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.865 0.364 . . . . 0.0 110.908 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -63.34 -31.85 73.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.575 HG11 ' HB2' ' A' ' 61' ' ' ALA . 16.0 m -90.27 11.94 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 74.82 28.39 62.96 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.478 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -123.09 116.9 24.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.868 0.366 . . . . 0.0 110.848 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -79.85 -31.38 40.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -88.78 118.61 28.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.49 ' HG3' HD22 ' A' ' 85' ' ' LEU . 12.6 pt20 -62.79 -40.66 98.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.933 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.49 HD22 ' HG3' ' A' ' 84' ' ' GLN . 3.8 mm? -63.41 -32.97 74.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.952 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -59.89 -48.04 83.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -66.8 -39.82 87.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.849 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 49.7 m -65.38 -36.6 84.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.3 mmm-85 -63.94 -51.19 65.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.844 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.407 HG13 ' N ' ' A' ' 91' ' ' PHE . 7.1 p -70.6 -40.56 77.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.407 ' N ' HG13 ' A' ' 90' ' ' VAL . 45.4 t80 -66.35 -35.84 81.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 53.4 tttt -57.73 -46.27 84.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.1 pttp -75.69 -24.55 56.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.554 ' SG ' HG21 ' A' ' 58' ' ' ILE . 23.2 t -55.35 -50.01 70.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 28.9 p -111.61 -8.59 14.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 96.21 -7.51 66.77 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.545 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.73 153.89 49.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.726 0.298 . . . . 0.0 111.111 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.29 163.13 27.15 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.639 0.733 . . . . 0.0 110.889 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -29.82 23.34 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.656 2.238 . . . . 0.0 112.338 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.3 p -67.45 -33.75 75.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.89 -47.89 49.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -58.47 -37.62 75.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -68.17 -34.32 76.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.06 -33.82 76.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.114 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 86.39 11.95 71.0 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.498 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.3 t -72.68 123.26 22.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.773 0.32 . . . . 0.0 110.908 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.908 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.742 0.306 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -82.53 148.49 28.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -56.89 -45.67 82.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.87 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.2 ttm-85 -60.26 -45.67 92.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.927 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.668 HG13 ' CE1' ' A' ' 41' ' ' PHE . 98.4 t -66.83 -38.46 81.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.75 -34.7 62.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -72.39 -33.22 67.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.405 ' HB1' ' CG1' ' A' ' 26' ' ' VAL . . . -71.16 -47.58 56.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.058 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 15.0 p -65.84 -31.64 72.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -63.68 -41.68 98.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.959 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -69.72 -44.11 70.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.933 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.486 HD11 HG11 ' A' ' 26' ' ' VAL . 51.0 mt -62.31 -38.33 80.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.099 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.3 t -62.47 -44.36 96.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -60.23 -37.88 81.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -96.86 17.93 15.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 31.7 tp -56.63 -26.24 55.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.0 -21.0 31.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -64.95 153.37 40.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.5 m -94.36 -51.01 4.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.824 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -81.17 107.9 14.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.539 ' HZ ' HG21 ' A' ' 26' ' ' VAL . 22.6 t80 -110.71 132.42 54.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -116.05 103.93 11.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.879 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 7.3 tp -57.08 -30.14 33.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.116 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.41 -42.18 98.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.087 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 70.7 m -62.98 -34.96 78.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.539 HG21 ' HZ ' ' A' ' 21' ' ' PHE . 91.8 t -67.2 -44.41 87.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.133 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.54 ' HA ' HD22 ' A' ' 37' ' ' LEU . . . -66.97 -43.8 82.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -62.11 -37.22 84.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -57.98 -34.78 70.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 32.6 m -97.0 17.06 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 4.6 t 51.48 38.82 23.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.537 ' O ' ' HB1' ' A' ' 27' ' ' ALA . 0.2 OUTLIER -140.94 163.86 31.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.931 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.405 ' H ' HD23 ' A' ' 32' ' ' LEU . 0.6 OUTLIER -83.63 160.28 59.2 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.745 0.784 . . . . 0.0 110.82 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -36.22 11.21 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.693 2.262 . . . . 0.0 112.318 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.0 t -67.14 -46.77 73.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.824 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.4 -44.85 61.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.54 HD22 ' HA ' ' A' ' 27' ' ' ALA . 21.7 tp -59.87 -44.26 94.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.7 t -59.68 -37.35 78.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.851 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 45.5 t-80 -59.82 -50.25 74.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.833 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.7 mt -72.38 -32.32 66.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.668 ' CE1' HG13 ' A' ' 5' ' ' VAL . 0.6 OUTLIER -57.61 -48.75 78.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.428 ' HA ' ' O ' ' A' ' 47' ' ' ILE . 0.4 OUTLIER -68.44 -25.32 64.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.3 tm0? -78.46 -40.48 35.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.9 mm-40 -82.03 -39.64 23.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.692 HD21 ' CD1' ' A' ' 52' ' ' TRP . 0.3 OUTLIER -88.33 -17.88 29.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 69.94 6.13 55.13 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.493 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.593 HG12 HD22 ' A' ' 45' ' ' LEU . 18.8 pt -147.23 174.42 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.847 0.356 . . . . 0.0 111.12 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.0 p -75.91 140.84 42.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.8 p -52.76 -43.39 44.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.105 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 83.1 mt -63.78 -32.65 74.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 27.4 t -73.09 -43.7 61.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.692 ' CD1' HD21 ' A' ' 45' ' ' LEU . 74.7 t90 -57.05 -40.51 76.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.975 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.7 ttp180 -58.33 -47.04 85.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.817 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -66.35 -38.18 87.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -66.63 -37.04 84.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -66.65 -45.0 80.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 19.4 ptt180 -70.99 -42.38 69.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.851 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.467 HG23 ' CD1' ' A' ' 91' ' ' PHE . 23.3 mm -66.96 -40.61 86.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.0 t -70.29 -33.48 71.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -71.5 -39.14 71.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.492 ' HB2' HG11 ' A' ' 79' ' ' VAL . . . -64.15 -46.85 82.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -71.68 -33.24 68.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.491 ' C ' HD13 ' A' ' 63' ' ' LEU . 3.1 tm? -67.99 -50.03 58.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.507 HD11 HG13 ' A' ' 75' ' ' VAL . 2.7 pp -70.03 -37.81 75.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.861 HD21 HG21 ' A' ' 75' ' ' VAL . 6.3 mt -55.09 -29.07 56.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.6 t -74.17 -34.02 63.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.422 HG22 ' HA ' ' A' ' 64' ' ' LEU . 8.7 t -98.74 7.8 45.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.166 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 64' ' ' LEU . 43.4 p -133.19 162.09 32.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.187 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.44 18.4 10.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 78.2 mtm -70.44 155.36 93.54 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.582 0.706 . . . . 0.0 110.85 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.516 ' O ' HG23 ' A' ' 75' ' ' VAL . 53.5 Cg_endo -69.78 153.04 69.31 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.618 2.212 . . . . 0.0 112.342 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 70.5 mt -52.47 -30.86 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.092 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.46 -47.2 73.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 99.1 m -67.59 -45.11 76.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.137 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.861 HG21 HD21 ' A' ' 65' ' ' LEU . 42.0 t -56.2 -40.54 65.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.122 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.484 ' O ' HG22 ' A' ' 79' ' ' VAL . . . -57.45 -42.89 94.08 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.475 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 66.6 mtt180 -57.43 -34.1 68.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.806 0.336 . . . . 0.0 110.845 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -61.31 -31.72 71.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.494 HG23 ' CD1' ' A' ' 81' ' ' PHE . 33.8 m -100.27 17.85 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.151 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 75.82 2.52 70.81 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.446 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.494 ' CD1' HG23 ' A' ' 79' ' ' VAL . 4.0 m-85 -82.4 117.14 22.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.865 0.364 . . . . 0.0 110.833 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -87.21 -31.55 20.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.92 119.07 31.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -62.49 -41.01 98.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 31.9 mt -69.07 -33.86 74.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -60.86 -40.59 93.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -66.66 -48.16 70.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 28.3 t -65.48 -37.26 86.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 43.5 mmm-85 -62.5 -51.4 67.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.824 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 89.7 t -70.84 -45.48 73.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.095 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.467 ' CD1' HG23 ' A' ' 58' ' ' ILE . 13.3 t80 -61.26 -35.47 77.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 63.6 tttt -56.83 -49.24 76.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 30.0 mttm -77.35 -25.71 51.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.97 -50.04 75.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.543 HG23 ' H ' ' A' ' 97' ' ' ALA . 1.9 t -104.94 -12.1 16.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.81 -8.47 68.2 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.521 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.543 ' H ' HG23 ' A' ' 95' ' ' THR . . . -137.76 153.78 49.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.764 0.316 . . . . 0.0 111.122 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.426 ' CB ' ' HD2' ' A' ' 99' ' ' PRO . 0.6 OUTLIER -69.23 166.37 29.94 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.728 0.775 . . . . 0.0 110.826 -179.789 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.426 ' HD2' ' CB ' ' A' ' 98' ' ' SER . 53.6 Cg_endo -69.78 -36.78 10.13 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.728 2.286 . . . . 0.0 112.306 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 67.9 m -68.61 -32.73 72.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.831 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -66.85 -48.23 69.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.941 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -58.01 -46.37 85.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 -71.9 -30.58 65.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.15 -27.13 68.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 82.42 12.0 81.15 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.522 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 9.2 t -84.46 126.86 33.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.775 0.321 . . . . 0.0 110.875 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.901 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.1 ttt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.728 0.299 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.31 147.64 25.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.837 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 31.7 m120 -65.11 -28.71 69.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 33.0 mtt-85 -70.96 -49.43 45.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.817 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 31.1 m -69.16 -37.3 76.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.137 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.4 ttt-85 -54.11 -37.53 64.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.404 ' HB3' HG12 ' A' ' 30' ' ' VAL . 1.5 tp10 -72.39 -32.98 66.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.858 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.54 ' HB1' ' CG1' ' A' ' 26' ' ' VAL . . . -73.92 -47.25 39.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.153 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.564 ' HA ' HD12 ' A' ' 12' ' ' ILE . 12.8 p -62.18 -31.2 71.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 28.7 tp60 -68.52 -35.5 77.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.939 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -69.36 -43.79 72.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.975 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.564 HD12 ' HA ' ' A' ' 9' ' ' CYS . 5.6 mt -61.21 -36.06 70.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.14 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.9 t -57.14 -38.53 73.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -67.31 -33.84 76.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -99.09 17.96 18.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.892 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.9 tp -55.61 -26.24 43.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.947 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.12 -20.92 21.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.073 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -62.07 139.54 58.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.5 p -81.78 -51.61 7.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -85.27 107.28 17.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.867 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.579 ' HZ ' HG21 ' A' ' 26' ' ' VAL . 24.8 t80 -111.69 132.95 54.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -116.09 113.78 23.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.2 tt -64.13 -28.85 45.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.152 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.49 -44.96 92.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.072 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.5 m -62.97 -29.54 70.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.843 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.579 HG21 ' HZ ' ' A' ' 21' ' ' PHE . 88.0 t -68.72 -39.12 79.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.119 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.595 ' HB1' ' O ' ' A' ' 32' ' ' LEU . . . -67.18 -42.52 84.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.11 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -63.34 -37.16 86.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -58.02 -34.88 70.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.853 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.592 HG23 ' HB2' ' A' ' 32' ' ' LEU . 27.0 m -96.69 14.77 3.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.14 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 60.3 m 51.46 38.18 21.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.595 ' O ' ' HB1' ' A' ' 27' ' ' ALA . 1.2 mt -140.99 162.37 35.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.1 m -80.31 160.11 68.61 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.639 0.733 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -35.58 12.45 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.65 2.233 . . . . 0.0 112.381 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.6 m -67.0 -47.14 72.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 -72.75 -38.18 67.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.557 HD22 ' HA ' ' A' ' 27' ' ' ALA . 25.1 tp -69.41 -39.27 78.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 84.3 p -59.23 -39.97 84.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -59.51 -48.81 80.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.832 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.0 mt -71.21 -31.2 67.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.942 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.56 ' CD2' HG22 ' A' ' 49' ' ' VAL . 0.4 OUTLIER -67.81 -50.98 53.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.1 mtp180 -70.96 -27.58 63.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.859 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 20.4 tp60 -79.86 -39.96 29.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 74.7 mm-40 -80.9 -40.64 24.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.419 HD23 ' N ' ' A' ' 45' ' ' LEU . 4.6 mt -89.44 -18.72 26.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 78.75 -2.71 67.11 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.502 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.461 HD13 ' H ' ' A' ' 47' ' ' ILE . 0.1 OUTLIER -149.41 168.94 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.814 0.34 . . . . 0.0 111.139 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.5 m -76.54 155.5 33.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.843 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.56 HG22 ' CD2' ' A' ' 41' ' ' PHE . 35.2 t -53.59 -39.33 37.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -54.65 -44.22 73.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.8 m -73.14 -43.76 61.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -59.15 -40.55 85.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.951 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -60.17 -47.22 86.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.05 -38.28 87.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -67.06 -36.88 83.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 35.6 mm-40 -66.72 -45.08 79.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.7 ptt180 -70.26 -41.17 73.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 26.3 mm -70.4 -32.41 50.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.126 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.5 t -66.83 -39.4 87.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.837 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 39.1 tp60 -67.27 -40.6 86.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.465 ' HB2' HG11 ' A' ' 79' ' ' VAL . . . -57.09 -46.11 82.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp -71.38 -32.99 69.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.1 tt -67.22 -50.08 62.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.934 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.417 ' O ' HG23 ' A' ' 68' ' ' THR . 2.4 pp -69.92 -37.68 76.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 1.001 HD21 HG21 ' A' ' 75' ' ' VAL . 14.9 mt -64.79 -28.81 69.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 28.7 t -71.04 -17.31 62.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.541 HG23 HG23 ' A' ' 68' ' ' THR . 10.0 t -120.48 2.03 10.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.114 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.541 HG23 HG23 ' A' ' 67' ' ' THR . 35.5 p -133.23 161.66 33.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.156 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.49 18.42 10.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 59.6 mtm -62.54 156.28 63.85 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.626 0.727 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.5 ' O ' HG23 ' A' ' 75' ' ' VAL . 53.5 Cg_endo -69.8 166.46 27.56 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.695 2.264 . . . . 0.0 112.334 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 37.3 mm -61.51 -30.84 49.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.69 -47.23 76.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.3 m -69.07 -47.26 65.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.123 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 1.001 HG21 HD21 ' A' ' 65' ' ' LEU . 86.2 t -56.18 -40.76 66.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.156 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.481 ' O ' HG22 ' A' ' 79' ' ' VAL . . . -56.73 -41.69 90.58 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.457 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 69.7 mtt180 -57.54 -33.94 68.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.866 0.365 . . . . 0.0 110.89 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -63.7 -31.88 73.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.5 HG23 ' CD1' ' A' ' 81' ' ' PHE . 33.7 m -98.14 17.6 2.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 74.12 4.42 67.94 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.477 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.5 ' CD1' HG23 ' A' ' 79' ' ' VAL . 3.5 m-85 -82.5 116.99 22.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.863 0.363 . . . . 0.0 110.856 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -81.74 -31.67 31.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -99.5 119.07 37.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.469 ' H ' ' NE2' ' A' ' 84' ' ' GLN . 0.0 OUTLIER -62.28 -35.1 77.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.92 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.7 mt -69.62 -35.42 75.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.95 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -60.25 -40.52 90.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -66.85 -46.08 76.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.85 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.6 p -65.49 -37.39 86.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.8 mtt-85 -62.56 -51.03 68.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 92.7 t -70.6 -45.61 73.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.145 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -61.36 -35.73 78.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 55.3 tttt -56.98 -48.49 78.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.29 -25.62 55.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 3.8 t -57.91 -50.01 74.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 47.0 p -106.17 -11.05 16.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.11 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.73 -7.36 67.94 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.47 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.65 148.49 45.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.737 0.303 . . . . 0.0 111.125 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.13 162.45 39.33 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.664 0.745 . . . . 0.0 110.841 -179.755 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -32.58 18.44 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.658 2.238 . . . . 0.0 112.313 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.9 p -67.31 -34.12 76.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.63 -47.53 31.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -60.14 -45.97 91.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 25.5 tpt85 -59.3 -40.4 86.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.854 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -67.11 -26.45 66.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 89.71 -9.2 77.99 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.516 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 35.5 t -68.37 121.07 15.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.744 0.307 . . . . 0.0 110.873 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.828 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.799 0.333 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -78.56 148.62 33.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -54.77 -32.86 60.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.0 tpp180 -70.94 -44.62 65.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.605 HG13 ' CD1' ' A' ' 41' ' ' PHE . 97.8 t -69.07 -39.7 79.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 -56.44 -35.19 67.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.71 -41.4 99.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.429 ' HB2' HG11 ' A' ' 30' ' ' VAL . . . -70.28 -36.28 74.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.058 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 66.5 m -60.24 -36.71 78.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.925 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 62.0 tp60 -61.38 -36.52 80.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.513 ' HD2' HG22 ' A' ' 26' ' ' VAL . 40.8 t80 -68.01 -44.07 77.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.9 mt -64.26 -36.95 78.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.123 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.4 t -66.34 -44.76 82.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -67.41 -25.33 65.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.877 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -100.49 18.05 20.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.817 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.0 tt -63.49 -26.52 68.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.53 -21.01 22.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.045 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.88 142.61 57.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.909 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.3 t -80.5 -48.35 12.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -84.49 97.6 9.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -107.77 108.58 19.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.572 ' OD2' ' HB3' ' A' ' 24' ' ' ALA . 1.0 OUTLIER -116.85 132.98 56.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 13.3 tt -69.25 -23.14 26.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.111 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.572 ' HB3' ' OD2' ' A' ' 22' ' ' ASP . . . -58.93 -40.88 85.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.9 t -70.12 -29.59 66.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.805 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.513 HG22 ' HD2' ' A' ' 11' ' ' TYR . 86.7 t -68.05 -47.21 79.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.12 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.598 ' HB1' ' O ' ' A' ' 32' ' ' LEU . . . -63.04 -40.16 96.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.083 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -63.97 -36.98 85.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -57.86 -34.59 69.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.429 HG11 ' HB2' ' A' ' 8' ' ' ALA . 27.9 m -98.49 16.11 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 87.2 m 51.52 36.63 17.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.598 ' O ' ' HB1' ' A' ' 27' ' ' ALA . 7.1 tp -136.14 164.42 28.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.3 m -81.94 159.67 65.24 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.643 0.735 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 -39.09 6.85 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.626 2.217 . . . . 0.0 112.294 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.0 t -64.62 -46.82 80.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.877 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.4 tpt180 -71.54 -35.16 70.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.0 tp -68.5 -44.52 74.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 75.7 m -59.44 -39.95 85.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -59.46 -49.09 79.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.4 mt -71.85 -32.04 67.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.605 ' CD1' HG13 ' A' ' 5' ' ' VAL . 0.6 OUTLIER -61.14 -50.63 72.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.925 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.433 ' HA ' ' O ' ' A' ' 47' ' ' ILE . 48.5 ttt180 -69.9 -23.88 63.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -78.78 -43.47 25.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 57.1 mm-40 -81.92 -40.46 22.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.536 HD21 ' CD1' ' A' ' 52' ' ' TRP . 0.3 OUTLIER -88.0 -14.55 38.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.35 4.54 51.46 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.489 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.444 ' CG1' HD22 ' A' ' 45' ' ' LEU . 28.2 pt -150.14 163.29 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.83 0.348 . . . . 0.0 111.107 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 t -74.38 146.15 43.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.7 p -54.27 -32.86 24.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.14 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.9 tp -62.79 -45.99 90.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.5 m -73.03 -38.55 66.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.536 ' CD1' HD21 ' A' ' 45' ' ' LEU . 43.6 t90 -58.28 -40.51 82.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.932 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -47.32 81.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -62.61 -46.31 88.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.37 -41.15 93.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.872 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -70.3 -34.98 73.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 -57.81 -47.07 83.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.575 HG21 ' SG ' ' A' ' 94' ' ' CYS . 50.1 mm -73.4 -45.01 53.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.142 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 60.4 m -58.54 -33.62 70.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 38.2 tp60 -70.06 -44.59 68.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.433 ' O ' HD12 ' A' ' 65' ' ' LEU . . . -70.77 -36.85 73.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.27 -43.55 64.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.7 tp -57.88 -50.54 72.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.918 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.47 HD12 ' OG1' ' A' ' 68' ' ' THR . 1.8 pp -68.95 -36.79 78.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.621 HD21 HG21 ' A' ' 75' ' ' VAL . 6.0 mt -59.81 -28.99 67.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 58.6 m -71.64 -26.01 62.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.452 HG23 HG23 ' A' ' 68' ' ' THR . 7.6 t -110.58 5.91 21.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.155 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.47 ' OG1' HD12 ' A' ' 64' ' ' LEU . 44.5 p -133.27 160.47 37.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.166 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.21 18.28 10.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.879 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 53.7 mtm -68.62 153.36 95.9 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.58 0.705 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 158.06 58.2 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.704 2.269 . . . . 0.0 112.322 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 6.0 mt -51.76 -35.4 17.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.441 ' HB2' ' OE1' ' A' ' 84' ' ' GLN . . . -59.54 -47.23 86.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.091 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 90.9 m -66.61 -49.07 67.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.196 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.621 HG21 HD21 ' A' ' 65' ' ' LEU . 39.5 t -57.96 -39.99 74.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.17 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.81 -32.48 58.99 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.489 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.5 -33.36 75.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.851 0.357 . . . . 0.0 110.93 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -66.07 -31.44 72.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 15.6 m -92.32 11.45 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.124 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 76.35 3.4 76.95 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.523 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -94.89 116.57 28.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.83 0.348 . . . . 0.0 110.894 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -85.5 -26.67 26.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -87.07 118.87 26.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.441 ' OE1' ' HB2' ' A' ' 73' ' ' ALA . 27.1 tt0 -62.62 -38.09 88.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -67.71 -32.98 73.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -62.12 -48.52 79.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -66.62 -43.69 84.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.928 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.8 p -64.79 -37.42 87.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.846 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 60.1 mtt180 -62.74 -50.44 71.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 88.9 t -70.22 -46.01 73.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.527 ' HD2' HG23 ' A' ' 58' ' ' ILE . 58.2 t80 -61.36 -36.29 79.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.63 -47.28 82.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? -75.55 -25.03 56.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.962 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.575 ' SG ' HG21 ' A' ' 58' ' ' ILE . 13.5 t -55.4 -49.78 71.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 40.5 p -110.74 -8.87 14.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.93 -6.49 66.94 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.462 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.63 148.45 45.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.829 0.347 . . . . 0.0 111.128 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.1 162.14 42.0 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.663 0.744 . . . . 0.0 110.826 -179.786 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -32.26 19.12 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.73 2.287 . . . . 0.0 112.34 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.468 ' O ' ' HB2' ' A' ' 104' ' ' ALA . 54.7 p -67.28 -34.15 76.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -74.58 -47.69 31.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.925 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -65.72 -47.47 75.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.3 -30.12 70.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.468 ' HB2' ' O ' ' A' ' 100' ' ' SER . . . -60.53 -28.4 68.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 82.18 12.0 81.48 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.481 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 9.9 t -88.34 124.4 33.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.796 0.331 . . . . 0.0 110.841 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.942 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.73 0.3 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -79.08 148.49 32.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.828 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 30.3 m-20 -53.8 -45.43 70.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 31.0 mtm180 -59.28 -42.61 91.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.829 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.642 HG13 ' CD2' ' A' ' 41' ' ' PHE . 48.1 t -68.82 -38.64 79.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.09 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.95 -34.64 76.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -62.14 -34.66 76.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.468 ' O ' HD12 ' A' ' 12' ' ' ILE . . . -58.65 -35.88 73.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.7 t -59.64 -33.84 72.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 65.1 mm-40 -60.77 -43.64 97.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -69.55 -48.55 59.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.58 HD13 ' HZ3' ' A' ' 52' ' ' TRP . 5.8 mt -61.4 -35.95 69.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.112 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.1 t -57.28 -44.09 83.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.818 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -67.52 -34.55 77.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -95.73 17.93 14.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.7 tp -62.25 -26.43 68.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -93.48 -21.03 19.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.066 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -62.05 146.66 49.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m -88.79 -50.36 6.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -81.78 103.71 11.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -103.92 127.38 51.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -115.98 110.67 19.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.8 tt -57.16 -24.19 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.74 -44.9 90.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.13 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 72.7 m -64.2 -29.51 70.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.843 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.426 HG12 HD21 ' A' ' 37' ' ' LEU . 61.7 t -64.86 -48.01 86.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.08 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.769 ' HA ' HD22 ' A' ' 37' ' ' LEU . . . -67.56 -39.89 84.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -62.75 -37.21 85.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -57.95 -34.87 70.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.832 HG21 HD13 ' A' ' 37' ' ' LEU . 33.8 m -96.61 16.42 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 63.3 m 51.53 37.03 18.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.563 ' O ' ' HB1' ' A' ' 27' ' ' ALA . 12.0 tp -138.64 163.98 30.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.1 m -73.96 159.89 83.08 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.681 0.753 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.479 ' HA ' ' HB2' ' A' ' 27' ' ' ALA . 54.4 Cg_endo -69.71 -39.44 6.6 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.721 2.281 . . . . 0.0 112.346 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.7 m -67.57 -46.89 71.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.1 tpp180 -65.21 -43.09 92.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.857 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.832 HD13 HG21 ' A' ' 30' ' ' VAL . 13.0 tp -68.83 -44.3 73.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 83.6 p -59.9 -39.92 87.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 16.7 t60 -59.5 -48.94 79.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.0 mt -71.89 -31.46 66.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.642 ' CD2' HG13 ' A' ' 5' ' ' VAL . 0.6 OUTLIER -59.34 -50.23 74.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 27.9 ttp85 -68.5 -25.84 65.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -78.06 -40.43 38.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 41.2 mm-40 -81.48 -39.49 24.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.619 HD21 ' CD1' ' A' ' 52' ' ' TRP . 0.3 OUTLIER -88.53 -16.86 31.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.89 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 67.85 8.48 53.23 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.544 HG12 HD22 ' A' ' 45' ' ' LEU . 21.1 pt -149.36 172.34 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.835 0.35 . . . . 0.0 111.16 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 m -77.36 146.63 36.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.525 HG22 ' CD1' ' A' ' 41' ' ' PHE . 29.4 t -54.02 -40.07 44.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.114 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 34.5 mt -62.12 -37.43 85.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 18.0 t -72.81 -43.21 63.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.619 ' CD1' HD21 ' A' ' 45' ' ' LEU . 52.6 t90 -58.73 -42.49 88.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.19 -47.13 87.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -65.92 -43.54 87.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.9 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -55.16 -49.03 72.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 16.9 mm100 -66.24 -34.91 79.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 39.0 mtt180 -59.21 -45.59 90.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.592 HG23 ' HD2' ' A' ' 91' ' ' PHE . 50.9 mm -70.88 -45.26 74.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.142 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 24.2 t -59.38 -38.37 80.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.82 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 21.0 tp60 -71.4 -38.45 71.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.503 ' HB2' HG11 ' A' ' 79' ' ' VAL . . . -63.72 -46.17 86.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.083 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -71.18 -33.39 69.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.1 tt -67.94 -50.11 57.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.955 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.601 HD11 HG13 ' A' ' 75' ' ' VAL . 2.5 pp -69.72 -37.74 76.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.913 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.747 HD21 HG21 ' A' ' 75' ' ' VAL . 7.0 mt -56.67 -28.97 61.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.0 p -74.46 -34.42 63.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.406 HG22 ' HA ' ' A' ' 64' ' ' LEU . 9.6 t -98.73 8.49 44.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.186 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.478 HG23 ' O ' ' A' ' 64' ' ' LEU . 48.7 p -133.31 159.43 40.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.14 18.34 10.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 61.4 mtm -73.68 155.38 89.13 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.567 0.699 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.547 ' O ' HG23 ' A' ' 75' ' ' VAL . 53.5 Cg_endo -69.75 162.43 42.1 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.693 2.262 . . . . 0.0 112.294 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 43.8 mm -57.26 -30.85 36.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.181 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.96 -47.17 78.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.078 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 45.3 m -70.41 -44.6 67.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.14 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.747 HG21 HD21 ' A' ' 65' ' ' LEU . 81.8 t -56.14 -40.6 65.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.089 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.48 ' O ' HG22 ' A' ' 79' ' ' VAL . . . -56.72 -40.79 89.46 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.514 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 26.4 mtp85 -57.74 -34.38 69.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.882 0.373 . . . . 0.0 110.862 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -62.09 -31.8 72.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.907 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.503 HG11 ' HB2' ' A' ' 61' ' ' ALA . 33.0 m -99.47 18.03 2.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.113 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 73.34 5.21 66.37 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.5 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.491 ' CD1' HG23 ' A' ' 79' ' ' VAL . 3.6 m-85 -83.15 116.95 22.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.337 . . . . 0.0 110.891 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.31 -31.47 23.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -94.16 119.23 32.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.425 ' HG3' HD22 ' A' ' 85' ' ' LEU . 5.8 pt20 -62.19 -40.77 97.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.927 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.425 HD22 ' HG3' ' A' ' 84' ' ' GLN . 4.0 mm? -68.89 -32.99 73.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -59.99 -41.7 92.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.429 ' CZ ' ' HB1' ' A' ' 61' ' ' ALA . 60.9 t80 -66.83 -45.69 77.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 77.3 p -65.46 -37.99 88.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.824 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.4 mtp180 -62.97 -50.55 70.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 88.3 t -69.94 -46.54 73.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.138 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.592 ' HD2' HG23 ' A' ' 58' ' ' ILE . 56.2 t80 -61.45 -34.94 76.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.875 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.55 -48.71 76.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.82 -25.61 56.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . 0.587 ' SG ' HG21 ' A' ' 58' ' ' ILE . 6.3 t -55.8 -49.91 71.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 70.5 p -108.72 -10.46 15.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.85 -6.11 66.91 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.467 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.61 148.96 46.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.807 0.337 . . . . 0.0 111.067 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.34 162.33 42.02 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.664 0.745 . . . . 0.0 110.835 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -32.97 17.47 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.688 2.259 . . . . 0.0 112.351 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.4 t -67.43 -33.98 76.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -74.28 -47.52 34.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -60.74 -47.15 87.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 29.8 ttt180 -62.96 -37.68 88.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.833 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.15 -26.41 63.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 81.28 11.92 82.82 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.458 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 4.4 t . . . . . 0 C--N 1.328 -0.363 0 CA-C-O 120.769 0.318 . . . . 0.0 110.867 -179.861 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.807 0.336 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -78.56 148.37 33.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.805 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -54.09 -45.44 71.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 72.5 mtm180 -61.04 -43.05 99.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.543 HG13 ' CD2' ' A' ' 41' ' ' PHE . 97.0 t -68.12 -37.82 78.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -54.4 -34.5 61.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -62.14 -38.61 89.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.416 ' HB1' ' CG1' ' A' ' 26' ' ' VAL . . . -58.97 -35.42 73.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.091 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 24.2 t -59.0 -34.02 71.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.822 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 41.4 tp60 -62.25 -45.93 91.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -69.83 -48.45 58.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 67.3 mt -61.14 -36.19 70.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.134 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.6 t -65.21 -41.81 94.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -66.82 -25.89 66.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -106.14 17.97 22.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.4 tp -58.77 -26.08 63.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -92.9 -20.98 20.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.084 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -63.25 145.35 55.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.823 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.2 p -82.08 -50.44 9.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -75.86 106.13 7.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -118.47 109.14 15.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.565 ' OD2' ' HB3' ' A' ' 24' ' ' ALA . 1.2 p-10 -116.55 132.68 56.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.85 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.3 tt -69.3 -22.78 26.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.152 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.565 ' HB3' ' OD2' ' A' ' 22' ' ' ASP . . . -58.7 -44.89 90.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.6 t -68.13 -31.34 70.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.818 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.416 ' CG1' ' HB1' ' A' ' 8' ' ' ALA . 26.2 t -69.81 -42.23 79.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.502 ' HB1' ' O ' ' A' ' 32' ' ' LEU . . . -66.82 -41.89 86.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -61.31 -37.06 81.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -57.88 -34.76 70.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.418 HG23 ' HB2' ' A' ' 32' ' ' LEU . 34.7 m -98.09 20.29 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.119 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 60.0 m 51.33 36.73 17.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.564 HD23 ' H ' ' A' ' 33' ' ' SER . 0.3 OUTLIER -136.21 164.24 28.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.963 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.564 ' H ' HD23 ' A' ' 32' ' ' LEU . 2.8 m -82.66 159.59 63.39 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.634 0.73 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -36.58 10.44 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.697 2.264 . . . . 0.0 112.329 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.4 t -66.8 -46.63 74.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.401 ' HB3' HD21 ' A' ' 32' ' ' LEU . 8.7 mmt85 -71.83 -38.63 70.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.92 -44.84 72.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.941 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.5 t -60.71 -41.22 94.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -59.41 -48.52 81.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 79.7 mt -71.42 -31.47 67.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.658 ' CD1' HG12 ' A' ' 49' ' ' VAL . 0.8 OUTLIER -57.72 -50.16 74.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.929 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -68.39 -25.29 64.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -77.97 -41.02 37.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -81.43 -39.29 25.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.663 HD21 ' CD1' ' A' ' 52' ' ' TRP . 0.2 OUTLIER -88.37 -16.93 31.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.939 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 67.96 8.06 52.13 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.465 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.533 ' CG1' HD22 ' A' ' 45' ' ' LEU . 24.7 pt -149.63 171.16 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.854 0.359 . . . . 0.0 111.136 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.31 146.44 36.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.658 HG12 ' CD1' ' A' ' 41' ' ' PHE . 27.4 m -53.93 -38.21 36.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.129 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.457 HD12 HG23 ' A' ' 49' ' ' VAL . 8.6 mp -62.7 -38.52 90.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.2 t -73.05 -42.86 62.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.663 ' CD1' HD21 ' A' ' 45' ' ' LEU . 49.9 t90 -58.63 -42.44 88.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.926 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.7 -47.18 87.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -66.12 -46.68 76.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.919 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -55.72 -44.66 77.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -69.54 -35.47 75.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.9 mtp180 -62.74 -46.17 89.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.84 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 47.6 mm -66.26 -43.95 91.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.4 t -67.75 -31.05 70.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 30.6 tp60 -68.74 -44.04 74.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.87 -43.23 85.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.087 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.7 mtpt -71.27 -33.3 69.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.942 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.4 tp -67.91 -50.05 58.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.943 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.433 HD11 HG13 ' A' ' 75' ' ' VAL . 2.3 pp -69.34 -37.47 77.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.97 HD21 HG21 ' A' ' 75' ' ' VAL . 13.3 mt -62.7 -28.73 70.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.3 t -75.44 -21.17 58.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.832 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.531 HG23 HG23 ' A' ' 68' ' ' THR . 4.6 t -110.35 0.56 18.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.103 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.531 HG23 HG23 ' A' ' 67' ' ' THR . 30.2 p -133.21 164.32 27.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.49 18.33 10.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.804 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 68.9 mtm -66.79 155.71 88.83 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.542 0.687 . . . . 0.0 110.876 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.616 ' O ' HG23 ' A' ' 75' ' ' VAL . 53.5 Cg_endo -69.77 166.39 27.78 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.679 2.252 . . . . 0.0 112.378 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.405 HG22 ' HG3' ' A' ' 84' ' ' GLN . 37.0 mt -62.7 -30.94 50.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.128 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.53 -47.19 79.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.068 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 95.7 m -70.05 -45.15 67.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.136 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.97 HG21 HD21 ' A' ' 65' ' ' LEU . 85.6 t -56.23 -40.52 65.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.116 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.494 ' O ' HG22 ' A' ' 79' ' ' VAL . . . -56.77 -44.29 91.81 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.452 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.4 mmm180 -57.71 -33.78 68.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.865 0.364 . . . . 0.0 110.865 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -61.3 -31.9 71.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.512 HG23 ' CD1' ' A' ' 81' ' ' PHE . 34.0 m -99.6 17.33 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.167 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 78.41 0.57 79.05 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.48 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.512 ' CD1' HG23 ' A' ' 79' ' ' VAL . 4.7 m-85 -83.43 117.06 22.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.875 0.369 . . . . 0.0 110.867 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -85.4 -31.48 22.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.884 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -93.11 118.49 31.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.405 ' HG3' HG22 ' A' ' 72' ' ' ILE . 40.1 tt0 -63.14 -41.21 99.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.913 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 18.5 mt -69.03 -32.61 72.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.932 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -60.03 -48.41 81.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.96 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -61.58 -46.67 88.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.4 m -65.22 -36.49 84.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 25.3 mtp85 -62.68 -51.76 65.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.917 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.7 p -71.18 -39.57 73.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -65.91 -36.04 82.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 18.1 ttpt -57.41 -48.12 79.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 33.6 mtpt -76.36 -25.55 54.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 2.2 m -59.06 -50.13 75.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 44.3 p -105.21 -10.4 17.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.63 -9.11 68.86 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.473 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.92 148.85 45.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.788 0.328 . . . . 0.0 111.151 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.09 162.74 36.41 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.672 0.748 . . . . 0.0 110.829 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -32.13 19.1 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.7 2.267 . . . . 0.0 112.335 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 48.4 t -67.41 -34.33 77.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -74.63 -47.76 30.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -58.58 -38.77 78.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.35 -37.7 86.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.67 -36.56 81.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 86.87 -9.13 73.18 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.505 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 31.5 p . . . . . 0 C--N 1.328 -0.343 0 CA-C-O 120.799 0.333 . . . . 0.0 110.884 -179.894 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 ttt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.81 0.338 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.72 148.3 22.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.855 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 26.1 t30 -64.92 -29.43 70.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -70.91 -49.78 42.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 27.5 m -69.84 -37.67 73.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.6 ttt-85 -59.09 -37.72 77.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.411 ' HB3' HG12 ' A' ' 30' ' ' VAL . 3.0 tp10 -62.22 -44.78 95.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.681 ' HB1' HG13 ' A' ' 26' ' ' VAL . . . -58.58 -35.65 72.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.131 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 94.3 m -59.6 -34.3 72.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.8 tm0? -61.32 -43.03 99.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -69.39 -44.7 70.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.973 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.6 mt -62.9 -43.72 99.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.126 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 60.2 m -58.57 -41.77 86.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -65.7 -35.54 81.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -96.73 17.92 15.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.667 HD11 ' HG3' ' A' ' 57' ' ' ARG . 14.2 tp -60.68 -27.83 68.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.942 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.66 -21.09 24.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.046 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.99 141.08 58.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.849 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.0 t -80.95 -51.06 8.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 20.1 m-20 -78.47 107.43 11.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -112.66 125.32 54.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.868 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -116.05 112.15 21.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.837 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.5 tt -55.46 -25.71 18.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.112 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.18 -42.31 94.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 65.7 m -63.01 -29.35 70.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.681 HG13 ' HB1' ' A' ' 8' ' ' ALA . 99.0 t -67.25 -50.66 61.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.157 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.772 ' HA ' HD22 ' A' ' 37' ' ' LEU . . . -67.24 -41.67 85.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.134 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -62.54 -37.13 84.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -57.99 -34.88 70.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.796 HG21 HD13 ' A' ' 37' ' ' LEU . 26.8 m -97.23 17.01 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.153 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 54.8 m 51.6 36.77 18.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.594 HD21 HH11 ' A' ' 36' ' ' ARG . 0.1 OUTLIER -137.56 164.03 29.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.899 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.36 157.74 84.4 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.675 0.75 . . . . 0.0 110.888 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.461 ' HA ' ' HB2' ' A' ' 27' ' ' ALA . 54.3 Cg_endo -69.73 -39.56 6.42 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.675 2.25 . . . . 0.0 112.35 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 72.5 m -67.65 -46.92 71.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.594 HH11 HD21 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -67.02 -41.66 86.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.906 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.796 HD13 HG21 ' A' ' 30' ' ' VAL . 11.8 tp -69.01 -44.48 72.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 86.7 p -59.97 -39.14 84.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 20.7 t60 -59.49 -49.22 78.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.8 mt -72.2 -31.95 66.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.951 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.518 ' HE2' ' HB3' ' A' ' 8' ' ' ALA . 0.7 OUTLIER -58.5 -49.92 75.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.871 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -68.25 -25.84 65.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.816 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -78.06 -40.51 38.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 -81.4 -39.44 24.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.929 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.591 HD21 ' CD1' ' A' ' 52' ' ' TRP . 0.3 OUTLIER -88.51 -16.82 31.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 67.39 9.01 53.89 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.526 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.562 HG12 HD22 ' A' ' 45' ' ' LEU . 20.2 pt -149.1 171.87 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.792 0.33 . . . . 0.0 111.149 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.3 p -77.2 149.27 35.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.2 t -54.13 -45.17 65.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.155 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.6 mp -60.71 -32.71 71.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.95 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.6 t -72.92 -45.83 55.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.591 ' CD1' HD21 ' A' ' 45' ' ' LEU . 69.7 t90 -59.08 -44.72 91.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -59.46 -47.06 86.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -65.96 -41.25 91.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -57.58 -45.68 84.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -70.16 -36.86 75.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.667 ' HG3' HD11 ' A' ' 16' ' ' LEU . 20.2 mtp180 -58.11 -46.68 85.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.627 HG21 ' SG ' ' A' ' 94' ' ' CYS . 50.1 mm -68.5 -38.42 79.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.8 p -65.21 -35.68 81.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -69.52 -39.56 77.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.475 ' O ' HD12 ' A' ' 65' ' ' LEU . . . -64.43 -46.14 84.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.12 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.591 ' HE3' HG22 ' A' ' 58' ' ' ILE . 15.4 ptpt -71.33 -33.28 69.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.403 ' C ' HD23 ' A' ' 63' ' ' LEU . 10.1 tt -67.94 -50.06 58.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.46 ' O ' HG23 ' A' ' 68' ' ' THR . 2.4 pp -69.64 -37.61 76.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.803 HD21 HG21 ' A' ' 75' ' ' VAL . 6.1 mt -57.17 -28.94 63.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.967 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.2 m -73.2 -24.65 60.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.834 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.465 HG23 HG23 ' A' ' 68' ' ' THR . 6.3 t -109.23 4.27 22.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.465 HG23 HG23 ' A' ' 67' ' ' THR . 29.5 p -133.22 162.01 32.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.146 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -122.39 18.24 10.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 56.7 mtm -68.38 153.54 95.48 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.565 0.697 . . . . 0.0 110.847 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.628 ' O ' HG23 ' A' ' 75' ' ' VAL . 54.3 Cg_endo -69.69 166.37 27.74 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.692 2.261 . . . . 0.0 112.366 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 41.8 mm -58.59 -30.96 42.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.146 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.43 -47.17 77.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.072 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.0 m -67.15 -48.46 67.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.206 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.803 HG21 HD21 ' A' ' 65' ' ' LEU . 27.8 t -56.3 -40.76 68.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.48 ' O ' HG22 ' A' ' 79' ' ' VAL . . . -56.62 -42.94 91.22 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.515 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 -57.23 -33.99 68.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.807 0.337 . . . . 0.0 110.861 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -63.53 -31.96 73.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.491 HG23 ' CD1' ' A' ' 81' ' ' PHE . 33.1 m -98.57 18.52 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.147 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 73.04 5.49 65.59 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.491 ' CD1' HG23 ' A' ' 79' ' ' VAL . 3.5 m-85 -83.24 116.93 22.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.868 0.366 . . . . 0.0 110.892 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -83.08 -31.5 27.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -95.72 119.18 33.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.919 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -62.24 -40.04 94.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 13.7 mt -68.88 -33.33 73.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -60.37 -41.55 93.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -66.66 -44.41 81.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.9 p -65.6 -37.41 86.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 16.5 mtp180 -62.97 -50.98 68.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 95.4 t -70.46 -45.7 73.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.557 ' CD2' HG23 ' A' ' 58' ' ' ILE . 34.1 t80 -61.44 -35.57 77.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.5 ttpt -56.82 -44.53 82.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -76.09 -25.68 55.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . 0.627 ' SG ' HG21 ' A' ' 58' ' ' ILE . 36.1 t -59.43 -49.99 75.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 35.3 p -104.2 -10.95 17.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.16 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.67 -9.03 68.79 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.481 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.8 148.29 45.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.757 0.313 . . . . 0.0 111.113 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.85 162.58 35.91 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.688 0.756 . . . . 0.0 110.819 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -32.05 19.22 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.704 2.269 . . . . 0.0 112.335 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 55.1 p -67.51 -34.19 76.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -74.69 -47.7 30.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -58.53 -40.4 82.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.907 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 40.5 ttt180 -59.53 -39.13 82.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.24 -27.29 67.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.024 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 87.1 11.88 69.01 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.499 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 4.1 t . . . . . 0 C--N 1.328 -0.356 0 CA-C-O 120.784 0.326 . . . . 0.0 110.882 -179.888 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.78 0.324 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.594 ' HB3' HG23 ' A' ' 5' ' ' VAL . 1.1 t70 -78.66 148.61 33.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -53.82 -45.16 70.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -70.36 -41.08 73.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.832 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.638 HG13 ' CE2' ' A' ' 41' ' ' PHE . 96.6 t -62.65 -38.61 82.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.58 -37.71 88.37 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.893 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -62.37 -34.02 75.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.35 -35.3 77.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.074 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 33.7 t -59.13 -34.22 71.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -65.43 -45.28 84.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -69.63 -48.54 59.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.467 HG23 ' NH1' ' A' ' 53' ' ' ARG . 11.0 mt -61.26 -40.87 87.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.161 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.8 t -57.0 -43.41 81.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -67.4 -21.95 65.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -101.33 17.86 21.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.3 tt -60.04 -30.88 69.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.977 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -93.35 -21.02 19.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.097 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.96 151.1 35.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.3 m -97.9 -51.27 4.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.858 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -78.2 105.74 9.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.945 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -111.75 124.64 52.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.83 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -116.0 111.59 20.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 12.3 tt -54.94 -26.27 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.161 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.91 -42.71 98.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.088 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.9 m -63.0 -30.63 71.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 63.3 t -70.15 -37.79 72.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.049 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.598 ' HB1' ' O ' ' A' ' 32' ' ' LEU . . . -67.44 -48.72 66.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -61.73 -37.14 83.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -57.85 -34.81 70.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.643 HG21 HD13 ' A' ' 37' ' ' LEU . 32.2 m -97.46 14.43 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.156 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 41.7 m 51.54 36.47 17.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.598 ' O ' ' HB1' ' A' ' 27' ' ' ALA . 10.7 tp -141.17 158.73 43.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.1 158.63 86.95 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.706 0.765 . . . . 0.0 110.851 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -39.6 6.3 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.703 2.269 . . . . 0.0 112.353 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 40.7 t -67.77 -46.84 70.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.7 tpp180 -68.76 -40.71 79.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.643 HD13 HG21 ' A' ' 30' ' ' VAL . 23.8 tp -68.79 -44.46 73.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.6 m -59.86 -39.25 84.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -59.65 -49.1 79.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.849 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 30.2 mt -72.02 -31.58 66.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.953 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.638 ' CE2' HG13 ' A' ' 5' ' ' VAL . 0.6 OUTLIER -59.73 -50.39 74.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -68.5 -25.62 65.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 11.1 tp60 -78.16 -40.74 36.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 59.0 mm-40 -81.48 -39.45 24.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.646 HD21 ' CD1' ' A' ' 52' ' ' TRP . 0.3 OUTLIER -88.46 -17.09 31.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.0 8.18 52.78 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.455 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.578 HG12 HD22 ' A' ' 45' ' ' LEU . 21.8 pt -149.29 173.35 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.819 0.342 . . . . 0.0 111.15 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.3 m -77.37 146.92 36.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.526 HG22 ' CD1' ' A' ' 41' ' ' PHE . 29.5 t -54.02 -43.69 59.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.11 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.487 HD13 ' O ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -61.95 -33.74 74.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 29.3 m -72.95 -44.56 61.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.646 ' CD1' HD21 ' A' ' 45' ' ' LEU . 65.2 t90 -58.72 -42.04 87.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.467 ' NH1' HG23 ' A' ' 12' ' ' ILE . 4.8 ttt85 -58.19 -47.22 84.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.878 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -66.15 -39.54 89.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -66.73 -35.02 79.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -67.35 -45.31 76.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -71.12 -43.34 67.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 24.4 mm -65.24 -42.19 93.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.104 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 30.7 t -70.54 -31.85 69.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.827 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.668 HE22 HD22 ' A' ' 63' ' ' LEU . 18.6 tp60 -70.71 -38.64 73.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.933 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.59 ' HB2' ' CG1' ' A' ' 79' ' ' VAL . . . -68.13 -45.89 72.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.088 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -71.84 -32.8 67.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.668 HD22 HE22 ' A' ' 60' ' ' GLN . 5.8 tt -58.13 -50.94 71.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.937 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.523 HD12 ' OG1' ' A' ' 68' ' ' THR . 1.6 pp -70.47 -36.57 73.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.664 HD12 HG11 ' A' ' 75' ' ' VAL . 0.3 OUTLIER -55.85 -28.89 58.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.951 179.862 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.5 t -71.93 -31.98 66.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.452 HG23 HG23 ' A' ' 68' ' ' THR . 7.3 t -102.83 6.06 39.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.148 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.523 ' OG1' HD12 ' A' ' 64' ' ' LEU . 46.1 p -133.36 168.13 19.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.39 18.23 10.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 66.7 mtm -68.49 153.54 95.57 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.586 0.707 . . . . 0.0 110.862 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.618 ' O ' HG23 ' A' ' 75' ' ' VAL . 53.8 Cg_endo -69.81 166.19 28.48 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.668 2.245 . . . . 0.0 112.355 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 39.8 mt -62.19 -30.92 49.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.096 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.38 -47.22 80.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.073 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 96.7 m -65.76 -48.91 70.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.171 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.664 HG11 HD12 ' A' ' 65' ' ' LEU . 35.3 t -56.18 -40.51 65.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.469 ' O ' HG22 ' A' ' 79' ' ' VAL . . . -59.07 -40.83 96.09 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.485 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -57.05 -34.14 67.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.847 0.356 . . . . 0.0 110.886 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -62.61 -31.69 72.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.59 ' CG1' ' HB2' ' A' ' 61' ' ' ALA . 33.7 m -99.77 18.74 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 73.12 5.17 65.15 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.459 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.483 ' CD1' HG23 ' A' ' 79' ' ' VAL . 3.3 m-85 -82.59 116.88 22.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.83 0.348 . . . . 0.0 110.862 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -88.84 -31.64 18.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -93.1 119.24 32.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.895 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -61.15 -40.71 94.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.96 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 20.4 mt -66.6 -33.09 74.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.935 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -61.13 -42.59 98.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -65.59 -46.65 78.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.847 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.7 m -65.55 -37.44 86.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -62.68 -51.08 68.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 92.3 t -70.59 -45.49 74.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.149 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -61.32 -35.93 78.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 59.1 tttt -57.21 -47.99 79.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.3 mtpm? -76.16 -25.65 55.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 2.2 m -59.61 -50.01 75.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 48.7 p -104.0 -11.18 17.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.179 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.66 -9.03 68.81 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.485 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.85 148.45 45.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.787 0.327 . . . . 0.0 111.131 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.01 162.6 37.08 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.662 0.744 . . . . 0.0 110.838 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -32.03 19.47 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.718 2.279 . . . . 0.0 112.323 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.1 m -67.51 -34.17 76.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -74.62 -47.71 30.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -61.76 -45.47 93.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 62.0 ttp85 -63.99 -30.52 71.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -77.02 -35.49 56.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.055 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 86.91 11.93 69.44 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.55 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 7.1 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 0.0 110.867 -179.864 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.779 0.323 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -78.8 148.26 32.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.842 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 26.3 m120 -53.96 -45.34 71.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 48.8 mtm180 -66.25 -47.48 73.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.579 HG13 ' CD2' ' A' ' 41' ' ' PHE . 77.9 t -59.82 -39.34 79.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -34.81 78.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -62.29 -47.41 84.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.877 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.516 ' HB3' ' HE2' ' A' ' 41' ' ' PHE . . . -59.34 -35.94 74.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.177 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 89.4 m -59.9 -35.73 75.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 20.7 tp60 -62.23 -40.33 95.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -69.46 -45.89 67.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 60.3 mt -63.25 -35.98 74.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.09 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.2 p -66.34 -43.36 86.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.33 -30.09 69.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -95.75 17.91 14.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.601 HD11 ' HG3' ' A' ' 57' ' ' ARG . 6.4 tp -62.23 -25.44 67.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.56 -21.01 21.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -62.66 146.09 52.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.3 t -86.21 -50.81 6.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.856 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -81.38 108.28 14.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -110.23 117.68 34.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.938 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -116.03 116.42 27.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.9 tt -58.06 -24.53 24.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.5 -45.03 92.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.058 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 81.3 p -63.8 -29.51 70.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.839 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 99.1 t -65.61 -49.18 79.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.14 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.714 ' HA ' HD22 ' A' ' 37' ' ' LEU . . . -67.39 -34.99 78.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.078 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 56.0 tp60 -64.83 -37.23 86.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.931 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -60.95 -34.76 75.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.808 HG21 HD13 ' A' ' 37' ' ' LEU . 26.9 m -93.73 13.04 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.167 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 60.2 m 51.43 38.36 21.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.605 ' HB2' HG23 ' A' ' 30' ' ' VAL . 7.3 mt -140.99 164.2 30.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.7 m -71.76 157.72 89.15 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.65 0.738 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.469 ' HA ' ' HB2' ' A' ' 27' ' ' ALA . 53.7 Cg_endo -69.79 -39.42 6.47 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.668 2.245 . . . . 0.0 112.36 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.0 m -67.6 -46.77 71.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -65.7 -42.94 90.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.851 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.808 HD13 HG21 ' A' ' 30' ' ' VAL . 14.3 tp -68.82 -44.58 73.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 30.5 t -60.16 -39.11 85.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.833 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 16.3 t60 -59.48 -49.34 78.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.816 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 73.8 mt -72.2 -32.06 66.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.579 ' CD2' HG13 ' A' ' 5' ' ' VAL . 0.7 OUTLIER -57.61 -49.84 75.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -68.1 -25.66 65.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.866 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -77.94 -40.35 39.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 70.5 mm-40 -81.46 -39.41 24.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.638 HD21 ' CD1' ' A' ' 52' ' ' TRP . 0.2 OUTLIER -88.52 -17.1 31.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 -179.916 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 67.84 8.86 54.77 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.472 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.563 HG12 HD22 ' A' ' 45' ' ' LEU . 19.9 pt -149.06 172.67 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.861 0.362 . . . . 0.0 111.113 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.5 p -77.36 147.87 35.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.406 HG22 ' CD1' ' A' ' 41' ' ' PHE . 42.5 t -53.95 -43.67 58.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.109 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.5 mp -61.71 -33.86 74.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 30.2 t -72.88 -44.85 60.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.638 ' CD1' HD21 ' A' ' 45' ' ' LEU . 48.3 t90 -58.88 -41.18 86.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 36.0 ttp180 -61.13 -47.18 87.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -65.94 -46.74 77.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.04 -37.58 85.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -66.15 -39.12 89.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.949 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.601 ' HG3' HD11 ' A' ' 16' ' ' LEU . 10.3 mtp85 -59.34 -43.0 92.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.603 HG23 ' HD2' ' A' ' 91' ' ' PHE . 49.9 mm -67.88 -44.14 85.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.158 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.1 t -67.01 -31.03 71.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.2 tp60 -71.04 -44.29 66.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.713 ' HA ' HD12 ' A' ' 64' ' ' LEU . . . -56.81 -36.34 69.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.094 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.529 ' NZ ' HG22 ' A' ' 58' ' ' ILE . 37.0 mttp -61.81 -40.3 94.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.913 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 50.9 tp -62.62 -43.18 99.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.926 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.713 HD12 ' HA ' ' A' ' 61' ' ' ALA . 1.1 mt -70.12 -44.17 69.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.417 ' HG ' HG21 ' A' ' 75' ' ' VAL . 3.1 mt -67.44 -25.46 65.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 26.8 t -90.77 -26.5 19.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.688 HG22 ' HA ' ' A' ' 64' ' ' LEU . 3.7 t -94.57 -12.89 26.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.164 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.614 HG23 HG23 ' A' ' 67' ' ' THR . 4.1 p -131.96 173.58 11.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.152 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.74 18.38 12.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 71.3 mtm -65.09 153.72 88.47 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.553 0.692 . . . . 0.0 110.887 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.69 ' O ' HG23 ' A' ' 75' ' ' VAL . 53.3 Cg_endo -69.8 163.69 37.37 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.677 2.252 . . . . 0.0 112.306 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.448 HG22 ' HG3' ' A' ' 84' ' ' GLN . 47.8 mt -58.69 -30.94 43.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.17 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.35 -47.23 80.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.087 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 93.0 m -71.48 -40.5 70.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.132 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.69 HG23 ' O ' ' A' ' 71' ' ' PRO . 94.7 t -56.12 -40.68 65.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.118 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.472 ' O ' HG22 ' A' ' 79' ' ' VAL . . . -56.86 -40.16 89.49 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.485 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 64.2 mtt180 -58.67 -34.35 71.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -61.56 -31.88 71.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.531 HG11 ' HB2' ' A' ' 61' ' ' ALA . 33.4 m -99.35 17.32 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.144 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 73.82 4.83 67.7 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.485 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.48 ' CD1' HG23 ' A' ' 79' ' ' VAL . 3.5 m-85 -82.83 117.05 22.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.862 0.363 . . . . 0.0 110.889 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -82.62 -31.51 28.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -96.65 119.13 34.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.914 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.448 ' HG3' HG22 ' A' ' 72' ' ' ILE . 8.3 tt0 -62.41 -40.77 97.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.901 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 80.2 mt -66.38 -32.92 74.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -63.26 -42.6 99.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -66.69 -48.04 70.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 65.1 p -65.47 -37.31 86.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 36.0 mmm-85 -63.16 -51.04 68.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 85.9 t -70.57 -46.06 71.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.091 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.603 ' HD2' HG23 ' A' ' 58' ' ' ILE . 44.6 t80 -61.24 -35.84 78.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.21 -30.81 64.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.95 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -76.64 -25.41 53.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . 0.401 ' SG ' HG21 ' A' ' 58' ' ' ILE . 43.3 t -63.55 -50.53 69.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.857 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 27.5 p -99.55 -12.62 19.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.27 -9.84 69.61 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.48 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -138.45 152.64 48.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 0.0 111.094 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.9 163.57 21.87 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.649 0.738 . . . . 0.0 110.854 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -27.01 27.35 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.689 2.26 . . . . 0.0 112.389 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.1 p -67.48 -33.65 75.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.17 -47.99 32.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.891 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -59.59 -42.04 91.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 33.0 ttp85 -58.17 -33.67 69.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -67.16 -31.23 71.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.073 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 82.39 11.99 81.21 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.487 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 4.6 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 120.754 0.311 . . . . 0.0 110.864 -179.88 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.763 0.316 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -78.65 148.43 33.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -53.89 -39.38 65.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.03 -47.0 66.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.615 HG13 ' CE2' ' A' ' 41' ' ' PHE . 88.5 t -63.04 -38.8 83.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.23 -39.79 87.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -63.21 -37.62 87.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.566 ' HB1' HG13 ' A' ' 26' ' ' VAL . . . -58.7 -36.26 73.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.079 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 69.3 m -60.01 -34.27 73.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -60.93 -42.24 97.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -69.41 -44.67 70.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.3 mt -61.41 -37.38 77.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.118 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.7 p -63.36 -36.84 85.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.82 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -67.95 -18.61 64.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -110.92 17.99 19.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.605 HD13 ' O ' ' A' ' 16' ' ' LEU . 0.8 OUTLIER -52.79 -39.14 62.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.33 -20.94 43.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -62.11 154.34 27.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.1 m -101.1 -50.29 3.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -83.8 108.13 16.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.464 ' CZ ' HG21 ' A' ' 26' ' ' VAL . 14.1 t80 -90.46 134.61 34.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -116.0 103.38 10.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.7 tp -61.79 -26.39 39.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.13 -44.85 96.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.9 m -64.92 -29.49 70.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.839 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.566 HG13 ' HB1' ' A' ' 8' ' ' ALA . 62.6 t -66.18 -51.88 54.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.139 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.65 ' HA ' HD13 ' A' ' 37' ' ' LEU . . . -67.73 -44.55 77.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.109 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -61.24 -36.04 78.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -56.72 -34.73 67.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.419 HG23 ' HB2' ' A' ' 32' ' ' LEU . 32.8 m -98.94 22.01 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 54.6 m 51.62 36.58 17.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.529 HD23 ' H ' ' A' ' 33' ' ' SER . 0.4 OUTLIER -135.17 164.24 28.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.918 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.529 ' H ' HD23 ' A' ' 32' ' ' LEU . 4.4 m -79.68 157.87 73.96 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.655 0.74 . . . . 0.0 110.859 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.481 ' HA ' ' HB2' ' A' ' 27' ' ' ALA . 53.7 Cg_endo -69.78 -38.56 7.6 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.702 2.268 . . . . 0.0 112.309 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.2 t -66.88 -46.9 73.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.406 ' HB3' HD21 ' A' ' 32' ' ' LEU . 19.3 mmt180 -70.33 -39.11 74.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.65 HD13 ' HA ' ' A' ' 27' ' ' ALA . 0.3 OUTLIER -69.41 -44.46 71.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.2 t -59.84 -39.95 86.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.887 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -59.5 -48.91 79.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.821 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 77.8 mt -71.94 -31.74 66.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.615 ' CE2' HG13 ' A' ' 5' ' ' VAL . 0.6 OUTLIER -59.2 -50.32 74.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 24.0 ttp180 -68.38 -25.73 65.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -78.03 -40.55 38.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -81.42 -39.48 24.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.651 HD21 ' CD1' ' A' ' 52' ' ' TRP . 0.3 OUTLIER -88.39 -17.01 31.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.96 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.02 8.12 52.67 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.52 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.568 HG12 HD22 ' A' ' 45' ' ' LEU . 19.8 pt -149.13 172.73 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.804 0.335 . . . . 0.0 111.114 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.1 t -77.37 149.38 35.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.1 t -54.46 -44.8 69.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.128 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 75.9 mt -61.72 -32.22 72.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 47.3 t -72.76 -45.8 56.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.651 ' CD1' HD21 ' A' ' 45' ' ' LEU . 57.3 t90 -59.12 -40.54 85.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.8 ttt85 -60.69 -46.39 90.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -65.74 -46.7 77.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.84 -37.61 87.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -67.65 -34.61 77.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.3 mtp85 -57.52 -46.73 83.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.833 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.43 HG23 ' HD2' ' A' ' 91' ' ' PHE . 2.0 mp -70.94 -44.97 75.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.175 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.2 t -56.36 -38.35 71.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.0 tp60 -71.79 -43.09 66.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.93 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.687 ' HB2' HG11 ' A' ' 79' ' ' VAL . . . -61.5 -35.45 77.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -66.31 -33.02 74.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.8 tt -64.54 -52.41 57.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.956 HD11 HG13 ' A' ' 75' ' ' VAL . 2.2 pp -72.04 -37.47 69.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.886 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.789 HD12 HG21 ' A' ' 75' ' ' VAL . 0.6 OUTLIER -64.96 -28.9 69.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.8 t -75.94 -21.86 56.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.537 HG23 HG23 ' A' ' 68' ' ' THR . 5.2 t -108.99 0.22 19.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.153 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.537 HG23 HG23 ' A' ' 67' ' ' THR . 33.3 p -131.67 146.39 52.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -104.67 18.32 22.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 47.9 mtm -63.5 158.56 57.73 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.539 0.685 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 152.43 69.41 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.669 2.246 . . . . 0.0 112.361 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 66.1 mt -51.74 -30.96 12.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.34 -47.01 80.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.057 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 86.0 m -67.32 -50.24 60.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.176 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.956 HG13 HD11 ' A' ' 64' ' ' LEU . 33.6 t -60.44 -41.01 85.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.86 -32.41 62.11 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.509 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -70.52 -32.12 69.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.822 0.344 . . . . 0.0 110.87 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -59.36 -31.16 68.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.687 HG11 ' HB2' ' A' ' 61' ' ' ALA . 11.9 m -94.29 1.0 10.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.87 0.14 66.61 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.431 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -90.25 117.0 28.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.862 0.363 . . . . 0.0 110.892 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -86.6 -31.45 21.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.843 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -86.3 118.98 26.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -62.45 -38.35 89.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -68.89 -34.73 75.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -60.16 -47.92 83.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -63.37 -42.33 98.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.869 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.8 p -65.4 -37.7 87.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 62.8 mtm180 -62.94 -50.61 70.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.832 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 88.9 t -70.29 -45.89 73.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.154 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.43 ' HD2' HG23 ' A' ' 58' ' ' ILE . 42.2 t80 -61.37 -36.09 79.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.31 -48.26 79.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 50.4 mttm -76.26 -25.66 55.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 4.5 m -59.37 -50.02 75.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 68.3 p -104.33 -10.97 17.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.148 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.69 -9.07 68.72 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.506 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.84 148.24 45.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.777 0.322 . . . . 0.0 111.105 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.97 162.56 37.11 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.675 0.75 . . . . 0.0 110.875 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -31.82 19.87 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.729 2.286 . . . . 0.0 112.336 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.5 m -67.53 -34.21 76.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -74.7 -47.71 30.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -59.84 -42.41 93.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 30.1 ttt180 -68.31 -33.07 73.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -77.19 -25.2 51.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 83.67 11.98 78.63 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.532 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 43.5 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.758 0.313 . . . . 0.0 110.919 -179.896 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.775 0.321 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.507 ' OD2' HG23 ' A' ' 5' ' ' VAL . 6.6 p-10 -78.71 149.16 32.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -53.48 -27.29 24.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.3 mtp180 -68.4 -50.21 54.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.614 HG13 ' CE2' ' A' ' 41' ' ' PHE . 67.8 t -70.2 -38.57 75.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -54.78 -42.09 71.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.941 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -62.93 -47.14 84.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.464 ' HB1' HG13 ' A' ' 26' ' ' VAL . . . -58.64 -35.71 72.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.092 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 23.3 m -59.6 -36.8 76.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -64.72 -36.86 85.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -67.86 -41.4 82.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.7 mt -61.2 -36.64 74.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.116 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.4 t -57.65 -34.49 69.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -67.26 -34.54 77.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.917 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 -93.7 17.88 11.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.664 HD11 ' HG3' ' A' ' 57' ' ' ARG . 5.1 tp -60.7 -31.37 70.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -93.95 -20.98 19.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.103 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -63.59 144.53 56.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.1 m -86.4 -51.3 6.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.825 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 66.1 m-80 -87.16 100.72 12.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.54 ' HZ ' HG21 ' A' ' 26' ' ' VAL . 41.0 t80 -88.06 136.49 32.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.07 95.25 5.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.1 tp -57.02 -23.74 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.159 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.68 -45.0 95.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.098 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.6 m -63.77 -29.37 70.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.543 HG12 HD21 ' A' ' 37' ' ' LEU . 76.5 t -65.66 -49.28 78.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.152 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.82 ' HA ' HD22 ' A' ' 37' ' ' LEU . . . -67.86 -41.9 82.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.072 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 51.4 tp60 -62.05 -37.16 83.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -57.93 -34.88 70.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.843 HG21 HD13 ' A' ' 37' ' ' LEU . 26.9 m -97.55 19.07 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.095 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 57.5 m 51.44 36.8 17.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.513 ' O ' ' HB1' ' A' ' 27' ' ' ALA . 18.3 tp -136.41 164.18 28.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.9 m -78.18 159.3 75.74 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.65 0.738 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.434 ' HA ' ' HB2' ' A' ' 27' ' ' ALA . 53.8 Cg_endo -69.79 -39.13 6.81 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.68 2.254 . . . . 0.0 112.359 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 63.1 m -67.37 -46.62 72.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 -68.53 -40.99 80.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.847 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.843 HD13 HG21 ' A' ' 30' ' ' VAL . 8.3 tp -68.87 -44.34 73.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 86.6 p -59.91 -40.4 88.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.828 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 16.9 t60 -59.55 -48.76 80.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.831 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 72.7 mt -71.68 -31.5 66.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.614 ' CE2' HG13 ' A' ' 5' ' ' VAL . 0.6 OUTLIER -59.12 -50.51 73.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -68.64 -25.48 64.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -77.92 -40.99 37.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.933 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -81.54 -39.39 24.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.631 HD21 ' CD1' ' A' ' 52' ' ' TRP . 0.3 OUTLIER -88.3 -16.95 31.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 67.7 8.05 50.73 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.514 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.561 HG12 HD22 ' A' ' 45' ' ' LEU . 24.1 pt -149.66 173.48 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.83 0.347 . . . . 0.0 111.148 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.3 p -77.52 147.03 36.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.577 HG22 ' CD1' ' A' ' 41' ' ' PHE . 28.9 t -53.99 -44.04 60.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.126 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.574 HD23 HH22 ' A' ' 53' ' ' ARG . 1.6 mt -62.11 -34.25 75.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.8 t -72.86 -43.54 62.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.631 ' CD1' HD21 ' A' ' 45' ' ' LEU . 44.8 t90 -58.62 -40.35 83.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.574 HH22 HD23 ' A' ' 50' ' ' LEU . 9.6 ttm105 -61.01 -46.98 88.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 58.4 tt0 -65.89 -45.68 81.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.842 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -61.81 -39.78 92.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -68.34 -35.21 77.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.945 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.664 ' HG3' HD11 ' A' ' 16' ' ' LEU . 85.3 mtt180 -58.68 -44.98 90.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 37.7 mm -64.32 -39.88 87.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.8 t -56.81 -43.19 80.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 29.0 tp60 -71.17 -38.29 72.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.93 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.05 -46.12 89.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.084 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -71.23 -33.25 69.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.403 HD13 ' O ' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -67.92 -50.13 57.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.92 179.887 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.416 HD11 HG13 ' A' ' 75' ' ' VAL . 2.5 pp -70.0 -37.66 75.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.885 HD21 HG21 ' A' ' 75' ' ' VAL . 11.0 mt -56.22 -29.03 60.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.5 m -73.26 -32.08 64.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.419 HG23 HG23 ' A' ' 68' ' ' THR . 8.2 t -101.52 6.86 42.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.15 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.419 HG23 HG23 ' A' ' 67' ' ' THR . 60.9 p -133.27 160.22 37.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.175 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.46 18.44 10.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.843 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 50.2 mtm -70.39 156.3 92.1 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.555 0.693 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 164.13 35.71 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.706 2.271 . . . . 0.0 112.343 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.434 HG22 ' HG3' ' A' ' 84' ' ' GLN . 63.7 mt -59.5 -30.89 45.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.105 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.47 -47.18 76.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.067 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 89.8 m -66.88 -50.14 63.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.885 HG21 HD21 ' A' ' 65' ' ' LEU . 64.7 t -56.32 -40.6 67.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.131 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.37 -32.53 60.76 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.487 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -70.82 -32.69 69.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.856 0.36 . . . . 0.0 110.911 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -60.23 -31.52 70.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 15.5 m -92.76 1.16 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.153 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 91.44 0.87 72.47 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.449 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -91.74 116.96 29.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.87 0.367 . . . . 0.0 110.905 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -82.42 -31.36 29.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.834 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -85.81 118.92 25.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.434 ' HG3' HG22 ' A' ' 72' ' ' ILE . 6.6 tt0 -62.59 -37.28 85.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 60.2 mt -68.12 -33.0 73.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -60.02 -47.68 84.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -66.25 -37.42 85.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 71.9 m -65.59 -37.26 86.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 62.6 mtp180 -63.99 -50.56 68.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 65.8 t -70.26 -42.99 78.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -64.39 -36.28 83.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 42.3 tttp -58.13 -47.34 83.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 11.3 pttt -75.52 -24.99 56.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 49.2 t -55.78 -49.91 71.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.847 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 23.4 p -110.05 -9.19 14.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 96.06 -6.51 66.6 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.516 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.75 147.64 44.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.815 0.341 . . . . 0.0 111.118 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.11 162.25 41.03 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.678 0.752 . . . . 0.0 110.857 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -31.82 19.83 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.651 2.234 . . . . 0.0 112.293 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.8 p -67.42 -34.31 76.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -74.72 -47.59 30.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.867 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -58.53 -37.86 76.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -41.18 91.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.869 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -74.88 -27.57 60.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.093 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 86.13 11.95 71.81 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.674 -0.775 . . . . 0.0 112.498 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 8.3 t . . . . . 0 C--N 1.328 -0.362 0 CA-C-O 120.725 0.298 . . . . 0.0 110.882 -179.865 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.767 0.318 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.469 ' HB3' HG23 ' A' ' 5' ' ' VAL . 2.9 t0 -78.79 148.58 32.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 70.5 m-20 -53.77 -44.4 70.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 22.6 mtm180 -70.81 -41.13 71.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.601 HG13 ' CE2' ' A' ' 41' ' ' PHE . 96.2 t -63.01 -39.09 83.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.157 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -38.43 77.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.72 -38.51 90.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.51 -35.44 72.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.07 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 21.4 t -59.42 -34.25 72.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.885 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 28.3 mm100 -65.42 -43.35 90.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.411 ' HD2' HG22 ' A' ' 26' ' ' VAL . 71.5 t80 -69.57 -48.63 59.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.946 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 66.1 mt -62.27 -41.85 93.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.149 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.5 t -62.93 -41.48 99.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.61 -30.22 70.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.903 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -99.08 17.83 18.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.646 HD12 ' HE ' ' A' ' 53' ' ' ARG . 29.0 tp -57.59 -25.2 59.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.939 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.04 -21.0 47.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.077 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -69.5 152.6 44.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 45.3 t -96.06 -51.11 4.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -82.37 108.89 16.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -82.0 134.07 35.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -115.99 95.08 4.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.859 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.6 tt -61.95 -25.78 38.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.15 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.39 -42.93 87.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.077 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 50.1 m -66.92 -29.95 69.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.411 HG22 ' HD2' ' A' ' 11' ' ' TYR . 84.3 t -68.73 -47.54 75.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.156 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.522 ' HB1' ' O ' ' A' ' 32' ' ' LEU . . . -65.41 -40.64 93.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 51.1 tp60 -62.12 -37.22 84.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.921 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -58.02 -34.82 70.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 34.4 m -97.43 18.92 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 2.3 t 51.49 36.71 17.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.522 ' O ' ' HB1' ' A' ' 27' ' ' ALA . 17.3 tp -136.42 164.1 28.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.949 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.1 m -81.46 159.87 66.1 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.651 0.739 . . . . 0.0 110.858 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -35.66 12.11 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.642 2.228 . . . . 0.0 112.296 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.6 p -67.33 -46.36 73.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.4 tpp85 -71.77 -38.39 70.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.856 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.49 -45.1 69.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 91.3 p -60.6 -41.46 94.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.828 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -59.46 -48.2 82.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 78.9 mt -71.38 -31.29 67.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.601 ' CE2' HG13 ' A' ' 5' ' ' VAL . 0.8 OUTLIER -59.82 -49.77 76.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.892 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.56 -26.26 65.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -78.23 -39.92 38.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -81.31 -39.64 24.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.957 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.651 HD21 ' CD1' ' A' ' 52' ' ' TRP . 0.2 OUTLIER -88.77 -16.33 32.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 67.27 9.21 53.99 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.45 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.536 ' CG1' HD22 ' A' ' 45' ' ' LEU . 23.3 pt -149.56 170.76 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.835 0.35 . . . . 0.0 111.132 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.6 m -77.07 147.65 36.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.503 HG12 ' CD1' ' A' ' 41' ' ' PHE . 16.0 m -53.8 -41.21 47.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.173 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 56.1 mt -62.22 -35.69 79.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.0 t -73.03 -44.15 61.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.651 ' CD1' HD21 ' A' ' 45' ' ' LEU . 60.1 t90 -58.92 -43.58 91.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.646 ' HE ' HD12 ' A' ' 16' ' ' LEU . 4.6 tpt180 -61.29 -45.74 93.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -66.15 -43.32 87.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.07 -45.59 90.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -70.05 -34.84 73.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 56.0 mtt180 -57.81 -42.84 85.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.611 HG21 ' SG ' ' A' ' 94' ' ' CYS . 44.3 mm -72.28 -45.44 61.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.178 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.2 t -60.27 -39.21 86.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.455 ' O ' HD12 ' A' ' 64' ' ' LEU . 5.7 tp60 -71.91 -44.28 63.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.786 ' HB2' HG11 ' A' ' 79' ' ' VAL . . . -62.3 -46.41 88.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.095 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -67.93 -33.14 74.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.1 tt -61.44 -49.77 75.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.919 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.706 ' HA ' HG22 ' A' ' 67' ' ' THR . 1.1 mt -70.11 -40.47 74.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.629 ' HG ' HG11 ' A' ' 75' ' ' VAL . 2.7 mt -63.47 -25.06 68.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.953 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 35.1 t -90.66 -27.53 18.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.886 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.706 HG22 ' HA ' ' A' ' 64' ' ' LEU . 2.3 t -94.45 -6.92 42.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.134 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.503 HG23 HG23 ' A' ' 67' ' ' THR . 10.8 p -133.27 173.66 11.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 25.6 mmm-85 -119.09 18.32 13.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.827 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 71.9 mtm -66.59 157.0 84.7 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.576 0.703 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.47 ' O ' HG23 ' A' ' 75' ' ' VAL . 54.0 Cg_endo -69.8 161.83 44.43 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.66 2.24 . . . . 0.0 112.341 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 50.3 mm -63.13 -30.9 50.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.177 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.19 -47.19 77.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.5 m -65.4 -50.21 66.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.17 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.629 HG11 ' HG ' ' A' ' 65' ' ' LEU . 45.5 t -59.86 -40.72 83.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.5 -32.64 61.25 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.495 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 65.0 mtt180 -71.49 -32.58 68.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.844 0.354 . . . . 0.0 110.847 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -59.94 -31.8 70.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.786 HG11 ' HB2' ' A' ' 61' ' ' ALA . 15.7 m -91.78 0.52 9.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.116 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.71 0.72 66.43 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -91.8 117.16 29.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.853 0.359 . . . . 0.0 110.868 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -86.14 -31.5 21.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -90.81 118.58 30.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.8 -34.19 76.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.947 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.467 HD13 ' NH2' ' A' ' 89' ' ' ARG . 19.5 mt -68.96 -35.66 77.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -64.69 -48.48 74.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -66.61 -44.99 80.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.877 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.5 m -65.39 -37.48 87.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.467 ' NH2' HD13 ' A' ' 85' ' ' LEU . 26.3 mtt180 -62.97 -50.54 70.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 93.5 t -70.23 -45.99 73.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.114 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.508 ' CD2' HG23 ' A' ' 58' ' ' ILE . 50.8 t80 -61.47 -36.16 79.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.51 -41.95 81.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 33.1 mttm -75.77 -25.54 56.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . 0.611 ' SG ' HG21 ' A' ' 58' ' ' ILE . 11.5 t -55.92 -49.9 72.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 30.8 p -108.98 -9.33 15.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.18 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.99 -7.26 67.22 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.465 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.62 147.65 45.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.803 0.335 . . . . 0.0 111.082 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.1 162.32 40.23 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.707 0.765 . . . . 0.0 110.856 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -31.67 20.12 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.654 2.236 . . . . 0.0 112.365 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 27.3 t -67.46 -34.32 76.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -74.74 -47.61 30.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -59.91 -46.29 89.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 18.7 tpt180 -59.22 -40.49 85.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.841 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.36 -30.88 71.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 91.29 -9.07 78.41 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.505 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 37.7 t . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 120.726 0.298 . . . . 0.0 110.872 -179.921 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.768 0.318 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.43 ' HB3' HG23 ' A' ' 5' ' ' VAL . 3.9 t0 -78.62 148.65 33.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.874 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -53.68 -43.66 69.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.07 -40.17 92.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.707 HG13 ' CD2' ' A' ' 41' ' ' PHE . 40.3 t -68.95 -38.48 78.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.165 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.5 -34.76 77.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.903 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -62.12 -37.9 86.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.408 ' HB1' HG13 ' A' ' 26' ' ' VAL . . . -58.77 -35.84 73.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.11 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 32.5 t -59.7 -34.19 72.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -63.22 -44.2 95.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -69.45 -48.49 60.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.939 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 53.0 mt -61.25 -42.02 91.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.086 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 85.9 p -57.3 -37.53 72.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -67.32 -27.05 66.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -103.7 17.98 22.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.4 tt -56.6 -27.92 59.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -93.92 -20.96 19.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -68.78 149.11 49.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.4 t -93.4 -51.41 4.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -72.23 105.63 4.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -110.15 127.23 54.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -115.96 108.41 16.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.0 tp -54.93 -26.11 16.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.162 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.98 -44.86 91.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.15 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 71.9 m -63.41 -29.35 70.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.449 HG12 HD21 ' A' ' 37' ' ' LEU . 69.9 t -66.37 -50.24 69.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.124 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.79 ' HA ' HD22 ' A' ' 37' ' ' LEU . . . -67.69 -35.26 78.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -63.59 -37.16 86.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -57.98 -34.91 70.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.866 HG21 HD13 ' A' ' 37' ' ' LEU . 32.7 m -95.82 15.04 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.161 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 64.4 m 51.32 36.82 17.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.572 ' O ' ' HB1' ' A' ' 27' ' ' ALA . 1.5 tp -138.96 164.0 30.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.0 p -72.53 157.24 89.34 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.625 0.726 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.522 ' HA ' ' HB2' ' A' ' 27' ' ' ALA . 53.9 Cg_endo -69.75 -36.57 10.58 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.69 2.26 . . . . 0.0 112.354 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.3 p -65.75 -46.91 77.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.818 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.7 mmt85 -67.67 -44.89 76.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.866 HD13 HG21 ' A' ' 30' ' ' VAL . 11.5 tp -65.02 -45.16 86.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.951 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 39.1 m -60.16 -38.8 84.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 17.3 t60 -59.38 -49.45 77.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.3 mt -72.77 -31.41 64.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.707 ' CD2' HG13 ' A' ' 5' ' ' VAL . 1.0 OUTLIER -59.64 -50.7 72.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 55.2 ttt-85 -67.22 -26.32 66.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.5 tp-100 -78.69 -38.13 39.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -81.78 -40.56 22.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.538 HD21 ' CD1' ' A' ' 52' ' ' TRP . 0.1 OUTLIER -89.26 -15.04 34.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.06 10.13 50.43 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.507 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 22.1 pt -148.19 170.34 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.842 0.353 . . . . 0.0 111.108 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.2 t -77.34 149.61 35.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 27.5 t -54.63 -45.5 72.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.075 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.5 mp -62.3 -30.16 70.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.85 -46.75 51.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.538 ' CD1' HD21 ' A' ' 45' ' ' LEU . 60.8 t90 -59.17 -40.46 85.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.947 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.21 -47.27 83.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -66.13 -44.13 85.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -62.96 -37.65 87.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -68.32 -37.48 80.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.2 mtp180 -61.43 -42.51 98.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 48.8 mm -69.47 -45.35 78.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.8 t -66.34 -31.08 71.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -69.04 -43.8 73.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.583 ' HB2' HG11 ' A' ' 79' ' ' VAL . . . -60.27 -45.54 92.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.099 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 32.3 mtpt -71.29 -33.1 69.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.1 tp -67.88 -50.09 58.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.487 HD11 HG13 ' A' ' 75' ' ' VAL . 2.4 pp -69.79 -37.51 76.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.969 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.76 HD21 HG21 ' A' ' 75' ' ' VAL . 10.6 mt -59.61 -28.79 67.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.7 m -72.3 -26.1 61.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.813 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.441 HG23 HG23 ' A' ' 68' ' ' THR . 7.3 t -109.6 5.64 23.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.161 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.441 HG23 HG23 ' A' ' 67' ' ' THR . 69.8 p -133.18 159.1 41.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.183 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.48 18.41 10.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 48.2 mtm -68.31 157.47 87.54 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.565 0.698 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 165.12 32.05 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.7 2.266 . . . . 0.0 112.347 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 56.9 mt -60.22 -30.89 46.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.162 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.72 -47.04 79.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.059 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 23.6 m -68.93 -50.26 50.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.103 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.76 HG21 HD21 ' A' ' 65' ' ' LEU . 90.7 t -56.72 -40.9 73.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.125 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.529 ' O ' HG22 ' A' ' 79' ' ' VAL . . . -56.77 -32.51 61.94 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.48 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.9 tpp85 -71.53 -32.49 68.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.851 0.358 . . . . 0.0 110.87 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -60.19 -32.28 70.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.915 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.583 HG11 ' HB2' ' A' ' 61' ' ' ALA . 26.8 m -89.26 -1.67 9.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.106 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.1 25.63 16.4 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.441 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -123.8 116.68 23.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.854 0.359 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -82.49 -31.39 29.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -84.75 119.07 24.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.55 -40.59 97.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 34.6 mt -67.8 -33.26 74.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -62.1 -48.53 79.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -66.76 -42.66 85.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.3 p -65.44 -36.71 84.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 20.3 mtp85 -64.25 -50.91 66.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.865 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.416 HG13 ' N ' ' A' ' 91' ' ' PHE . 7.1 p -70.39 -40.83 78.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.149 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.416 ' N ' HG13 ' A' ' 90' ' ' VAL . 50.7 t80 -66.22 -36.43 83.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 57.7 tttt -57.88 -48.35 80.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.874 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -76.18 -25.66 55.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.894 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.7 m -57.75 -50.01 74.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 72.7 p -106.78 -9.74 16.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.8 -9.05 68.45 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.507 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.9 149.33 46.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.819 0.342 . . . . 0.0 111.08 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.07 162.4 39.38 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.612 0.72 . . . . 0.0 110.9 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -32.26 19.1 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.672 2.248 . . . . 0.0 112.371 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.7 t -67.49 -34.14 76.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -74.61 -47.7 30.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -61.6 -45.34 94.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 24.9 ptt180 -68.06 -32.43 72.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.822 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.97 -36.17 80.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.061 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 86.78 -9.15 72.8 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.5 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 31.3 p . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 120.783 0.325 . . . . 0.0 110.878 -179.886 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 ttt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.805 0.336 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -103.02 148.39 25.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.842 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -64.96 -29.34 70.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 85.3 mmt-85 -70.77 -49.68 44.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 30.0 m -69.47 -37.88 75.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.12 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 25.2 ttt-85 -54.95 -45.63 74.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -65.96 -41.61 91.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.528 ' HB1' ' CG1' ' A' ' 26' ' ' VAL . . . -58.77 -36.46 74.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.09 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 71.6 m -60.34 -35.61 76.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -64.51 -42.96 95.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -69.2 -48.34 62.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 78.1 mt -61.57 -44.73 99.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.116 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.8 t -57.55 -36.6 71.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.825 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -67.35 -24.18 65.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -93.69 17.98 10.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 tt -57.81 -38.26 75.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.948 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.76 -21.06 25.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.121 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -79.71 154.53 28.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.4 t -99.56 -41.29 7.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -60.79 102.94 0.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -118.23 110.46 17.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -116.05 105.32 12.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.836 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 7.3 tt -54.99 -27.38 19.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.114 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.73 -42.37 95.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.145 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.9 m -63.22 -33.26 75.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.528 ' CG1' ' HB1' ' A' ' 8' ' ' ALA . 60.2 t -70.03 -37.88 73.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.564 ' HB1' ' O ' ' A' ' 32' ' ' LEU . . . -67.11 -48.72 67.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.06 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -61.56 -37.38 83.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -58.2 -34.8 70.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.803 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.755 HG21 HD13 ' A' ' 37' ' ' LEU . 34.6 m -97.64 16.85 2.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.12 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 84.8 m 51.63 38.4 22.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.564 ' O ' ' HB1' ' A' ' 27' ' ' ALA . 0.1 OUTLIER -140.75 162.93 34.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.1 m -81.79 160.43 63.89 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.691 0.758 . . . . 0.0 110.874 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -38.55 7.7 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.689 2.26 . . . . 0.0 112.347 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 74.3 m -64.41 -46.75 81.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.834 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 24.4 tpt180 -72.4 -44.88 61.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.755 HD13 HG21 ' A' ' 30' ' ' VAL . 13.0 tp -61.58 -44.4 97.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 95.7 p -60.09 -39.06 84.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -59.74 -48.66 80.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.844 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 68.4 mt -71.22 -31.88 68.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.83 -52.18 46.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.41 -27.21 64.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.904 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 11.3 tp-100 -78.02 -41.53 35.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.931 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -80.43 -39.07 28.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.42 ' N ' HD23 ' A' ' 45' ' ' LEU . 3.9 mt -88.71 -16.37 32.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.04 10.81 53.12 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.465 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 28.5 pt -149.67 167.14 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.841 0.353 . . . . 0.0 111.134 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 t -77.45 158.96 29.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 15.8 m -54.02 -41.25 49.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.172 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.7 tp -62.41 -33.71 75.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.8 m -72.91 -48.11 39.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 76.9 t90 -65.57 -44.49 86.56 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.942 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -58.22 -47.58 83.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -66.17 -38.47 88.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -54.48 -36.27 63.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -70.36 -33.9 71.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 38.5 mtm180 -61.29 -47.18 87.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.56 HG21 ' SG ' ' A' ' 94' ' ' CYS . 50.4 mm -73.71 -43.15 54.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.106 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.7 t -62.01 -37.53 85.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 34.9 tp60 -71.41 -44.56 64.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.965 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.728 ' HB2' HG11 ' A' ' 79' ' ' VAL . . . -66.71 -45.71 77.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.079 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.2 ptmt -67.63 -32.84 73.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.8 tt -64.22 -52.26 59.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.694 HD11 HG13 ' A' ' 75' ' ' VAL . 2.3 pp -71.99 -37.63 69.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.917 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.7 tt -60.69 -29.0 69.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.1 t -75.0 -26.43 59.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.433 HG23 HG23 ' A' ' 68' ' ' THR . 8.9 t -106.97 7.01 29.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.166 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.461 HG23 ' O ' ' A' ' 64' ' ' LEU . 52.6 p -133.28 151.5 51.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.157 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 52.2 ttt-85 -109.76 18.42 20.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 27.3 mtm -68.24 158.49 84.25 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.596 0.713 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.609 ' O ' HG23 ' A' ' 75' ' ' VAL . 53.1 Cg_endo -69.83 152.99 69.12 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.7 2.267 . . . . 0.0 112.301 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 44.6 mm -55.87 -30.9 28.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.12 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.83 -47.24 72.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.088 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.4 m -70.81 -42.77 69.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.694 HG13 HD11 ' A' ' 64' ' ' LEU . 83.3 t -56.12 -40.28 63.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.117 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.67 -39.64 91.46 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.485 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 62.8 mtp180 -56.58 -32.84 65.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.82 0.343 . . . . 0.0 110.902 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -66.22 -21.87 66.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.728 HG11 ' HB2' ' A' ' 61' ' ' ALA . 2.6 m -112.3 14.14 8.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.154 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 79.32 -0.09 81.49 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.501 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 23.4 m-30 -86.5 116.87 24.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.918 0.39 . . . . 0.0 110.868 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -92.03 -31.47 15.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.847 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -89.55 118.54 29.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -62.92 -36.64 84.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.949 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 37.6 mt -68.0 -33.12 74.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.937 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -63.87 -48.54 76.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -66.71 -43.93 82.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.855 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 60.4 p -65.38 -38.59 90.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.1 mtp85 -61.87 -50.61 71.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.869 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 98.2 t -70.4 -45.2 75.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -61.48 -36.53 80.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.7 ttpt -57.7 -48.37 79.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 54.7 mttt -76.16 -25.51 55.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . 0.56 ' SG ' HG21 ' A' ' 58' ' ' ILE . 1.8 t -57.33 -50.02 74.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.865 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 80.5 p -107.5 -9.77 15.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.173 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.89 -8.06 67.83 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.77 148.25 45.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.785 0.326 . . . . 0.0 111.127 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.99 162.47 38.1 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.676 0.75 . . . . 0.0 110.868 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -32.18 19.1 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.713 2.276 . . . . 0.0 112.35 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.1 t -67.56 -34.08 76.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -74.61 -47.72 30.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -59.46 -46.62 88.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -67.77 -30.71 70.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.838 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.88 -28.89 70.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.077 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 92.67 -9.16 76.17 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.439 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 3.5 t . . . . . 0 C--N 1.328 -0.355 0 CA-C-O 120.822 0.344 . . . . 0.0 110.865 -179.866 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 ttt . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.746 0.307 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -78.93 147.69 32.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -60.82 -45.11 95.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 23.6 mmt85 -59.33 -48.77 80.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.606 HG13 ' CD2' ' A' ' 41' ' ' PHE . 38.5 t -64.77 -38.59 83.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.11 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -67.92 -34.96 77.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.473 ' HB3' HG12 ' A' ' 30' ' ' VAL . 1.7 tp10 -62.33 -37.91 87.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.424 ' HB1' HG13 ' A' ' 26' ' ' VAL . . . -58.71 -36.32 74.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.09 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.8 t -60.2 -34.22 73.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.929 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -62.75 -43.24 99.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.925 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -69.5 -47.71 62.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.933 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.606 HG23 ' NH2' ' A' ' 53' ' ' ARG . 71.8 mt -61.18 -37.81 78.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.147 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 51.8 p -60.62 -42.0 95.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -67.45 -35.64 79.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.832 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -94.18 17.96 11.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.44 HD11 ' HG3' ' A' ' 57' ' ' ARG . 20.1 tp -59.93 -28.48 67.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -93.87 -20.99 19.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -61.96 144.09 55.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.9 m -87.5 -51.44 5.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -81.1 98.94 8.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.86 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -102.63 129.95 49.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -116.24 120.5 39.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.906 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.8 tt -62.64 -28.36 44.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.15 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.01 -41.4 87.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.05 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 70.2 m -62.94 -30.63 71.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.49 HG12 HD21 ' A' ' 37' ' ' LEU . 55.5 t -66.68 -48.92 78.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.125 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.721 ' HA ' HD22 ' A' ' 37' ' ' LEU . . . -67.3 -41.57 85.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.119 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 50.3 tp60 -62.6 -37.13 85.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -58.04 -34.86 70.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.834 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.812 HG21 HD13 ' A' ' 37' ' ' LEU . 32.6 m -96.45 16.54 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 88.0 m 51.4 38.47 21.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.546 ' O ' ' HB1' ' A' ' 27' ' ' ALA . 10.4 tp -140.94 163.71 32.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.2 m -72.12 159.75 84.57 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.687 0.756 . . . . 0.0 110.85 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.569 ' HA ' ' HB2' ' A' ' 27' ' ' ALA . 53.6 Cg_endo -69.79 -39.5 6.38 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.655 2.237 . . . . 0.0 112.306 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.1 m -67.7 -46.76 71.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.8 tpm_? -63.59 -44.85 92.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.838 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.812 HD13 HG21 ' A' ' 30' ' ' VAL . 14.7 tp -68.17 -44.64 75.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 27.5 t -60.41 -38.15 83.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 17.2 t60 -59.62 -49.2 78.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.858 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.4 mt -71.86 -32.47 67.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.606 ' CD2' HG13 ' A' ' 5' ' ' VAL . 0.5 OUTLIER -61.45 -50.06 74.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.44 -26.56 67.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.839 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.5 tm0? -78.65 -40.94 32.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -80.27 -39.46 28.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.456 HD12 ' CD1' ' A' ' 52' ' ' TRP . 4.1 mm? -88.73 -16.48 32.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 67.22 8.45 50.34 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.483 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 26.9 pt -149.97 173.58 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.844 0.354 . . . . 0.0 111.131 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.0 t -77.3 153.69 33.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 30.3 t -54.19 -41.83 53.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.116 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 50' ' ' LEU . 7.4 tp -61.55 -35.4 77.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.888 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.6 m -72.91 -48.02 40.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.456 ' CD1' HD12 ' A' ' 45' ' ' LEU . 61.8 t90 -59.94 -40.56 89.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.948 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.606 ' NH2' HG23 ' A' ' 12' ' ' ILE . 21.9 ttm-85 -58.45 -46.38 86.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -65.79 -44.63 85.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -55.69 -41.85 74.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.836 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 -67.95 -37.6 81.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.44 ' HG3' HD11 ' A' ' 16' ' ' LEU . 16.4 mtp180 -58.41 -41.93 86.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.89 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.632 HG21 ' SG ' ' A' ' 94' ' ' CYS . 50.0 mm -65.7 -44.85 93.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.1 t -66.83 -36.02 81.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.7 -43.66 83.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.65 ' HA ' HD12 ' A' ' 64' ' ' LEU . . . -56.81 -38.7 72.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.085 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.436 ' HE3' HG22 ' A' ' 58' ' ' ILE . 31.9 mttt -61.03 -39.72 90.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.408 ' O ' HD13 ' A' ' 63' ' ' LEU . 0.3 OUTLIER -61.9 -44.07 97.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 179.876 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.69 ' HA ' HG22 ' A' ' 67' ' ' THR . 1.1 mt -70.13 -44.46 68.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.557 ' HG ' HG21 ' A' ' 75' ' ' VAL . 1.7 mt -67.18 -25.53 66.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 57.8 m -90.77 -26.52 19.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.69 HG22 ' HA ' ' A' ' 64' ' ' LEU . 3.6 t -94.6 -12.7 26.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.142 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.619 HG23 HG23 ' A' ' 67' ' ' THR . 4.2 p -131.96 173.47 11.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.112 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.75 18.39 13.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 77.9 mtm -65.76 155.49 86.11 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.618 0.723 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.591 ' O ' HG23 ' A' ' 75' ' ' VAL . 53.7 Cg_endo -69.77 166.51 27.35 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.742 2.294 . . . . 0.0 112.335 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 34.4 mm -62.88 -31.02 50.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.15 -47.37 74.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 95.1 m -67.31 -45.9 75.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 71' ' ' PRO . 87.8 t -56.12 -40.29 63.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.098 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.478 ' O ' HG22 ' A' ' 79' ' ' VAL . . . -56.3 -43.9 89.53 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.488 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.49 -33.7 68.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.835 0.35 . . . . 0.0 110.877 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -63.16 -31.97 73.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.514 HG11 ' HB2' ' A' ' 61' ' ' ALA . 34.0 m -98.67 17.8 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 75.16 3.26 68.99 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.515 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.506 ' CD1' HG23 ' A' ' 79' ' ' VAL . 3.7 m-85 -82.29 117.14 22.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.909 0.385 . . . . 0.0 110.878 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -83.56 -31.55 26.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -97.5 118.94 35.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.478 ' HG3' HD22 ' A' ' 85' ' ' LEU . 8.5 pt20 -62.64 -40.69 97.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.478 HD22 ' HG3' ' A' ' 84' ' ' GLN . 4.1 mm? -66.49 -32.58 74.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.432 ' O ' HG12 ' A' ' 90' ' ' VAL . 5.5 t80 -59.84 -47.47 85.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -61.48 -46.47 89.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 92.1 p -65.58 -36.16 82.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 72.5 mtt180 -63.5 -51.73 64.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.871 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.432 HG12 ' O ' ' A' ' 86' ' ' TYR . 7.6 p -70.89 -40.29 76.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.153 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.472 ' CD2' HG23 ' A' ' 58' ' ' ILE . 39.1 t80 -66.14 -36.01 81.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -57.16 -48.54 78.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 32.9 mtpt -76.08 -25.37 55.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . 0.632 ' SG ' HG21 ' A' ' 58' ' ' ILE . 39.3 t -55.67 -49.94 71.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 70.8 p -109.54 -9.97 14.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.92 -5.83 66.56 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.483 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.69 148.63 45.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.783 0.325 . . . . 0.0 111.118 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.18 162.47 39.51 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.681 0.753 . . . . 0.0 110.821 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -33.57 16.31 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.664 2.243 . . . . 0.0 112.336 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.1 m -67.25 -33.92 76.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.854 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -74.13 -47.55 35.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -58.8 -43.21 90.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 65.1 ttp85 -66.46 -36.57 83.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.834 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.95 -33.29 75.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.075 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 87.44 -9.2 74.3 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.507 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 42.7 t . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 120.737 0.303 . . . . 0.0 110.926 -179.889 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 tpt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.745 0.307 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.576 ' HB3' HG23 ' A' ' 5' ' ' VAL . 10.4 t0 -78.91 144.59 34.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.85 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -60.1 -39.84 87.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -64.19 -46.18 85.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.576 HG23 ' HB3' ' A' ' 2' ' ' ASP . 80.7 t -57.48 -38.69 64.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -55.38 -45.57 76.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -64.75 -35.2 80.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.68 -36.3 73.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.111 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.8 t -60.24 -34.21 73.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -62.62 -47.07 85.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.921 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -69.49 -47.29 64.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 64.5 mt -61.32 -37.83 78.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.088 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.6 m -66.77 -44.67 80.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -66.54 -38.9 88.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -94.8 17.98 12.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.826 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.431 HD11 ' HG3' ' A' ' 57' ' ' ARG . 3.9 tp -62.48 -25.53 68.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.32 -21.03 21.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.081 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -62.59 138.63 58.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.816 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.5 m -79.67 -51.53 9.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.817 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -78.89 107.68 11.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -114.99 126.21 54.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -116.03 113.06 22.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.6 tp -55.08 -28.62 21.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.39 -42.38 95.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.085 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.0 m -62.99 -29.77 71.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.867 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.542 HG12 HD21 ' A' ' 37' ' ' LEU . 81.0 t -70.3 -39.23 76.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.152 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.735 ' HA ' HD22 ' A' ' 37' ' ' LEU . . . -67.2 -49.2 65.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -62.03 -36.88 82.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -57.71 -34.5 69.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.788 HG21 HD13 ' A' ' 37' ' ' LEU . 27.7 m -99.85 18.13 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.08 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 72.9 m 51.47 36.43 16.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.83 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.617 ' HB2' HG23 ' A' ' 30' ' ' VAL . 0.4 OUTLIER -136.64 164.05 29.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.955 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.02 159.98 69.63 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.708 0.766 . . . . 0.0 110.859 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -39.3 6.59 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.707 2.272 . . . . 0.0 112.363 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.1 m -67.89 -43.84 78.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.47 -44.91 61.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.869 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.788 HD13 HG21 ' A' ' 30' ' ' VAL . 15.8 tp -63.39 -44.36 94.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.6 t -59.85 -38.56 82.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -59.7 -48.93 79.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 38.5 mt -71.48 -32.19 67.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.927 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.573 ' CE2' HG13 ' A' ' 5' ' ' VAL . 0.3 OUTLIER -66.65 -52.07 49.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.0 ttp180 -70.45 -26.77 63.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? -78.14 -41.66 34.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 -80.7 -39.02 27.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.427 HD23 ' N ' ' A' ' 45' ' ' LEU . 3.9 mt -88.66 -16.71 31.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.85 9.29 52.33 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.463 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.403 HD11 ' HA ' ' A' ' 52' ' ' TRP . 27.5 pt -149.96 171.25 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.837 0.351 . . . . 0.0 111.123 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 33.8 m -77.24 154.14 33.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.869 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 37.6 t -54.17 -43.57 60.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.135 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.4 mp -61.6 -36.22 80.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.4 t -72.93 -44.91 60.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.403 ' HA ' HD11 ' A' ' 47' ' ' ILE . 37.4 t90 -59.2 -40.87 87.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.904 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -58.29 -47.15 84.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.872 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -57.25 -46.71 82.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -54.92 -41.73 71.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -70.11 -41.23 74.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.944 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.431 ' HG3' HD11 ' A' ' 16' ' ' LEU . 20.5 mtp180 -58.25 -46.78 85.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 42.8 mm -71.46 -45.59 67.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.9 t -59.27 -38.93 81.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.871 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.425 ' O ' HD12 ' A' ' 64' ' ' LEU . 31.7 tp60 -72.21 -44.61 62.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.756 ' HB2' HG11 ' A' ' 79' ' ' VAL . . . -61.76 -46.58 88.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -67.38 -33.14 74.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.933 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.412 ' C ' HD23 ' A' ' 63' ' ' LEU . 10.1 tt -62.54 -49.01 77.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.687 ' HA ' HG22 ' A' ' 67' ' ' THR . 1.1 mt -69.93 -41.25 74.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.608 ' HG ' HG21 ' A' ' 75' ' ' VAL . 6.5 mt -67.55 -25.27 65.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 58.2 m -90.42 -27.2 19.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.687 HG22 ' HA ' ' A' ' 64' ' ' LEU . 4.2 t -94.56 -12.51 27.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.155 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.655 HG23 HG23 ' A' ' 67' ' ' THR . 3.4 p -133.32 173.8 11.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.159 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.74 18.35 15.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 77.5 mtm -62.36 155.57 66.14 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.602 0.715 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.479 ' O ' HG23 ' A' ' 75' ' ' VAL . 53.8 Cg_endo -69.7 162.52 41.7 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.724 2.282 . . . . 0.0 112.373 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 41.5 mt -63.0 -30.78 50.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.171 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.69 -47.27 78.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.13 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 96.9 m -65.12 -50.1 67.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.153 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.608 HG21 ' HG ' ' A' ' 65' ' ' LEU . 42.5 t -59.27 -39.69 79.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.104 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.68 -32.1 58.29 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.485 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 62.7 mtp180 -67.38 -33.52 75.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.807 0.337 . . . . 0.0 110.856 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -63.77 -31.51 72.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.756 HG11 ' HB2' ' A' ' 61' ' ' ALA . 16.2 m -92.95 8.45 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.088 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 78.73 4.67 88.17 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.542 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -95.9 116.6 29.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.833 0.349 . . . . 0.0 110.913 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -82.12 -31.48 30.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -85.38 118.7 25.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -62.57 -36.4 82.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 21.8 mt -68.9 -33.03 73.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.936 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -59.38 -48.44 81.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.45 ' CZ ' ' HB1' ' A' ' 61' ' ' ALA . 34.4 t80 -66.73 -40.67 88.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.9 m -65.61 -37.86 87.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -62.73 -50.56 70.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 99.8 t -70.33 -46.07 72.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -61.36 -35.82 78.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 61.1 tttt -57.13 -47.89 80.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 38.6 mtpt -76.18 -25.77 55.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 16.5 m -60.41 -50.16 74.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 23.1 p -102.72 -11.61 18.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.162 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.61 -9.1 68.92 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.464 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.94 147.21 44.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.823 0.344 . . . . 0.0 111.076 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.77 162.55 35.66 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.594 0.712 . . . . 0.0 110.878 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -30.49 22.13 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.659 2.239 . . . . 0.0 112.321 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 29.9 t -67.52 -35.05 78.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.845 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.78 -47.71 29.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -61.0 -37.67 83.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.11 -42.32 94.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.39 -26.25 67.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.082 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 93.66 -9.18 73.91 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.526 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 2.0 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 120.815 0.34 . . . . 0.0 110.902 -179.881 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 ttt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.78 0.324 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.77 ' HB3' HG23 ' A' ' 5' ' ' VAL . 0.9 OUTLIER -78.86 148.34 32.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -56.5 -45.53 80.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.559 ' NH2' HD13 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -63.09 -34.44 77.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.839 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.77 HG23 ' HB3' ' A' ' 2' ' ' ASP . 89.4 t -60.26 -38.45 77.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.101 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -66.8 -38.23 86.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -72.12 -34.13 68.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.85 -46.72 43.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.11 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 10.6 p -62.74 -31.28 72.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.83 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 68.2 tp60 -63.34 -37.03 85.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -69.55 -41.94 75.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 63.6 mt -61.18 -41.82 90.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.1 p -57.41 -34.16 68.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -67.26 -25.77 66.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -107.98 17.95 21.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.9 tp -54.85 -41.65 71.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.03 -21.05 31.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.093 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -81.47 131.98 35.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m -77.37 -27.74 52.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -73.9 94.6 2.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -118.11 117.87 30.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -116.04 111.57 20.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.7 tt -54.98 -26.28 17.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.36 -43.49 97.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.2 m -63.1 -31.09 72.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.566 HG12 HD21 ' A' ' 37' ' ' LEU . 20.4 t -67.3 -48.61 77.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.126 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.554 ' HB1' ' O ' ' A' ' 32' ' ' LEU . . . -67.13 -41.25 86.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.121 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -63.0 -36.47 83.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -57.25 -33.06 67.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.2 m -100.91 18.28 3.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 66.1 m 51.2 40.87 27.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.559 HD13 ' NH2' ' A' ' 4' ' ' ARG . 0.1 OUTLIER -140.96 164.36 30.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.905 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.21 160.01 78.93 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.618 0.723 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.452 ' HA ' ' HB2' ' A' ' 27' ' ' ALA . 54.2 Cg_endo -69.73 -36.56 10.67 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.707 2.272 . . . . 0.0 112.392 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 55.0 p -65.24 -44.76 87.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -67.57 -41.27 84.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.566 HD21 HG12 ' A' ' 26' ' ' VAL . 24.0 tp -66.11 -44.3 84.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 71.1 p -60.05 -37.17 79.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 18.8 t60 -59.7 -49.8 76.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.556 HD12 HH11 ' A' ' 4' ' ' ARG . 5.7 mt -72.2 -30.92 65.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -63.04 -51.78 65.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 34.1 ttt180 -70.29 -26.28 63.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.51 -42.55 35.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -80.52 -38.58 29.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.932 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.433 HD23 ' N ' ' A' ' 45' ' ' LEU . 3.5 mt -88.4 -16.89 31.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.77 8.88 50.25 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.493 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 28.5 pt -150.18 171.33 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.798 0.332 . . . . 0.0 111.151 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.3 t -77.61 152.93 33.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.4 m -54.12 -40.26 45.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.18 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 39.0 mt -61.96 -36.05 80.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.4 m -72.99 -47.86 41.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 73.9 t90 -59.82 -47.25 86.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.924 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 33.2 ttp180 -58.3 -47.04 84.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.849 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -65.97 -44.62 84.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -54.68 -45.36 73.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -69.67 -34.94 74.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -59.22 -45.11 91.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.603 HG23 ' HD2' ' A' ' 91' ' ' PHE . 47.0 mm -59.24 -45.55 92.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.11 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.4 t -70.52 -31.38 68.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 50.0 tp60 -69.13 -38.93 79.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.887 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.738 ' HB2' ' CG1' ' A' ' 79' ' ' VAL . . . -68.01 -36.38 79.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.087 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.496 ' HD2' HG22 ' A' ' 58' ' ' ILE . 3.6 mtpm? -71.71 -32.35 67.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.6 -50.94 71.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.598 HD12 ' OG1' ' A' ' 68' ' ' THR . 1.6 pp -70.43 -36.57 74.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.598 HD12 HG11 ' A' ' 75' ' ' VAL . 0.3 OUTLIER -64.04 -28.81 70.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.957 179.855 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.9 t -68.63 -18.07 64.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.518 HG23 HG23 ' A' ' 68' ' ' THR . 8.5 t -122.56 2.61 9.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.137 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.598 ' OG1' HD12 ' A' ' 64' ' ' LEU . 35.8 p -132.39 162.66 30.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.171 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.49 18.46 10.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 63.7 mtm -60.64 157.29 38.61 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.516 0.674 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.411 ' O ' HG23 ' A' ' 75' ' ' VAL . 53.9 Cg_endo -69.72 166.46 27.47 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.665 2.243 . . . . 0.0 112.324 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 51.1 mm -62.42 -30.97 50.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.139 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.65 -47.2 79.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.09 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 28.7 m -67.64 -50.08 59.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.151 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.598 HG11 HD12 ' A' ' 65' ' ' LEU . 69.5 t -57.95 -40.67 77.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.071 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.21 -32.48 60.23 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.512 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.94 -32.41 69.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.827 0.346 . . . . 0.0 110.897 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -59.92 -31.58 69.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.738 ' CG1' ' HB2' ' A' ' 61' ' ' ALA . 13.8 m -92.63 1.08 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 92.96 0.59 68.29 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.523 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -91.53 117.11 29.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.841 0.353 . . . . 0.0 110.854 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -84.59 -31.51 24.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.83 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -89.66 118.48 29.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -63.13 -39.28 94.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.7 mt -63.43 -38.13 89.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -63.68 -45.49 89.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -66.62 -45.85 77.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.855 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 11.9 t -65.52 -37.59 87.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 65.7 mtt-85 -62.94 -50.69 69.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 99.6 t -70.37 -45.72 73.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.116 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.603 ' HD2' HG23 ' A' ' 58' ' ' ILE . 45.0 t80 -61.48 -36.06 79.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 27.0 tttm -57.31 -44.59 84.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 23.1 mtmm -75.76 -25.56 56.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . 0.536 ' SG ' HG21 ' A' ' 58' ' ' ILE . 2.9 t -56.2 -49.92 72.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 19.3 p -108.49 -9.7 15.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.117 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.97 -7.4 67.33 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.491 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.73 148.25 45.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.783 0.325 . . . . 0.0 111.09 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.14 162.45 39.35 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.658 0.742 . . . . 0.0 110.869 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -32.37 18.71 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.676 2.251 . . . . 0.0 112.383 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 30.0 t -67.46 -34.06 76.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -74.52 -47.64 31.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -60.32 -43.96 95.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -63.88 -40.59 96.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.888 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.78 -33.83 74.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.082 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 89.24 -9.09 78.24 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.465 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 5.5 t . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 120.743 0.306 . . . . 0.0 110.91 -179.928 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.718 0.294 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -78.48 148.99 33.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -53.47 -29.24 34.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 34.6 mtm180 -70.61 -49.07 51.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.422 HG13 ' CD2' ' A' ' 41' ' ' PHE . 99.5 t -69.38 -38.41 77.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.165 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.73 -34.36 62.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -71.66 -33.65 69.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.925 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.81 -46.92 56.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.102 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.782 ' HA ' HD12 ' A' ' 12' ' ' ILE . 13.8 p -65.68 -31.31 72.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 49.8 tp60 -64.33 -35.86 82.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -69.49 -37.29 77.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.782 HD12 ' HA ' ' A' ' 9' ' ' CYS . 31.8 mt -61.51 -36.89 76.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.12 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.3 p -58.62 -36.4 74.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.822 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -67.44 -27.11 66.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 34.0 m-70 -101.84 17.87 21.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.575 HD12 ' NH2' ' A' ' 53' ' ' ARG . 8.0 tt -60.9 -29.44 69.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.949 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -93.37 -20.91 19.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.079 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.82 131.22 46.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 39.3 m -73.44 -51.47 17.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -85.96 94.28 9.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -98.51 132.13 44.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -116.06 123.31 47.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.3 tt -68.95 -22.54 26.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.159 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.47 -42.96 99.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 21.1 m -62.81 -29.5 70.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.797 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.547 HG12 HD21 ' A' ' 37' ' ' LEU . 60.8 t -66.57 -50.07 69.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.122 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.798 ' HA ' HD22 ' A' ' 37' ' ' LEU . . . -67.5 -43.74 80.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.085 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -61.99 -36.55 81.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.934 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -57.53 -34.67 69.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.754 HG21 HD13 ' A' ' 37' ' ' LEU . 16.0 m -98.83 19.0 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 2.8 t 51.4 37.78 20.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.544 ' O ' ' HB1' ' A' ' 27' ' ' ALA . 1.4 mt -137.38 163.38 31.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.946 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.6 m -76.68 159.08 79.99 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.636 0.731 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.442 ' HA ' ' HB2' ' A' ' 27' ' ' ALA . 53.5 Cg_endo -69.81 -39.3 6.56 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.673 2.248 . . . . 0.0 112.377 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 83.3 p -67.58 -46.83 71.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.15 -41.45 86.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.843 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.798 HD22 ' HA ' ' A' ' 27' ' ' ALA . 11.1 tp -69.22 -44.47 71.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.923 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.3 t -59.8 -40.29 87.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 18.8 t60 -59.52 -48.74 80.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.94 -31.57 66.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.525 ' CD1' HG22 ' A' ' 49' ' ' VAL . 0.7 OUTLIER -59.3 -50.38 74.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 179.911 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 49.8 ttt180 -68.44 -25.61 65.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 -77.95 -41.0 37.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -81.31 -39.4 25.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.631 HD21 ' CD1' ' A' ' 52' ' ' TRP . 0.3 OUTLIER -88.33 -16.91 31.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 67.76 8.25 51.88 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.462 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.543 HG12 HD22 ' A' ' 45' ' ' LEU . 24.0 pt -149.6 172.95 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.901 0.382 . . . . 0.0 111.099 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.8 m -77.24 147.57 36.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.525 HG22 ' CD1' ' A' ' 41' ' ' PHE . 30.3 t -54.04 -45.03 64.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.116 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.8 mp -62.0 -33.35 74.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.8 t -73.01 -43.83 61.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.631 ' CD1' HD21 ' A' ' 45' ' ' LEU . 60.4 t90 -58.68 -40.9 84.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.575 ' NH2' HD12 ' A' ' 16' ' ' LEU . 7.8 tpm_? -61.36 -46.59 89.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 55.8 tt0 -62.66 -46.64 87.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -57.85 -41.58 82.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 -69.94 -38.2 76.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.964 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 31.5 mtp180 -58.29 -41.11 83.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 51.2 mm -71.42 -45.48 68.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.9 t -62.76 -37.63 87.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.448 ' O ' HD12 ' A' ' 64' ' ' LEU . 7.8 tp60 -71.81 -44.25 64.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.75 ' HB2' HG11 ' A' ' 79' ' ' VAL . . . -57.16 -46.48 82.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.086 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.08 -33.14 73.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.405 ' O ' HD13 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -60.76 -49.53 77.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.676 ' HA ' HG22 ' A' ' 67' ' ' THR . 0.6 OUTLIER -69.92 -39.02 76.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 179.897 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.732 ' CD1' HG11 ' A' ' 75' ' ' VAL . 0.3 OUTLIER -66.65 -25.29 66.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.878 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.1 t -90.55 -26.71 19.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.676 HG22 ' HA ' ' A' ' 64' ' ' LEU . 3.0 t -94.57 -11.44 29.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.158 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.603 HG23 HG23 ' A' ' 67' ' ' THR . 4.8 p -133.09 173.66 11.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.169 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 -119.8 18.65 12.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.857 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 72.8 mtm -60.54 156.71 41.31 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.552 0.692 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.622 ' O ' HG23 ' A' ' 75' ' ' VAL . 53.6 Cg_endo -69.8 165.68 30.19 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.632 2.221 . . . . 0.0 112.352 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 33.6 mm -63.77 -31.0 51.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.86 -47.34 72.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.093 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 99.4 m -67.25 -46.59 73.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.732 HG11 ' CD1' ' A' ' 65' ' ' LEU . 94.3 t -56.13 -40.9 67.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.475 ' O ' HG22 ' A' ' 79' ' ' VAL . . . -58.41 -42.52 95.78 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.514 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 45.3 mtp85 -57.84 -34.34 69.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.811 0.339 . . . . 0.0 110.877 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -61.07 -31.71 71.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.75 HG11 ' HB2' ' A' ' 61' ' ' ALA . 33.5 m -100.3 17.54 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 74.16 4.56 68.58 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.488 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.494 ' CD1' HG23 ' A' ' 79' ' ' VAL . 3.7 m-85 -82.75 117.12 22.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.848 0.356 . . . . 0.0 110.923 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -83.25 -31.52 26.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -94.46 119.02 32.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -62.41 -41.06 98.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -69.2 -34.32 74.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -60.14 -41.51 92.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.587 ' CZ ' ' HB1' ' A' ' 61' ' ' ALA . 32.4 t80 -66.74 -45.43 78.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 62.9 p -65.52 -38.28 89.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 29.2 mtt-85 -62.98 -50.49 70.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.93 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 85.9 t -70.21 -45.64 74.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.106 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -61.23 -37.14 81.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -25.79 67.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.957 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 40.4 mttt -78.33 -25.26 46.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.48 -41.41 18.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.1 p -94.03 -15.73 24.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.16 -9.82 68.37 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.477 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -138.89 152.99 48.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.828 0.347 . . . . 0.0 111.099 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.79 162.95 32.17 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.672 0.749 . . . . 0.0 110.862 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -32.27 19.0 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.622 2.215 . . . . 0.0 112.368 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.7 t -67.79 -34.08 76.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.856 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -74.82 -47.98 27.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -59.76 -44.48 93.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 57.6 ttt-85 -59.35 -42.08 90.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.902 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -67.14 -28.53 68.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.074 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 88.25 -9.15 76.25 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.464 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 13.9 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 120.777 0.323 . . . . 0.0 110.864 -179.884 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.2 tpt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.763 0.316 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.612 ' OD2' HG23 ' A' ' 5' ' ' VAL . 16.9 p-10 -78.79 145.62 34.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -64.84 -31.88 73.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -55.71 -50.07 71.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.713 HG13 ' CE2' ' A' ' 41' ' ' PHE . 68.0 t -70.09 -38.48 75.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -54.8 -35.67 64.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -67.63 -40.6 84.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.66 -36.28 73.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.099 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.3 t -60.16 -34.07 73.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 60.0 tp60 -61.99 -43.18 99.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -69.39 -48.47 61.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 61.6 mt -61.82 -40.44 86.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.155 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.7 t -57.35 -39.5 76.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -67.45 -26.67 66.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.906 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -108.6 18.02 21.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.7 tp -56.64 -26.17 55.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.949 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.39 -21.02 21.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -61.99 149.33 41.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.7 m -90.83 -50.94 5.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.828 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -82.19 106.51 14.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.491 ' HZ ' HG21 ' A' ' 26' ' ' VAL . 18.2 t80 -104.77 134.08 48.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.08 118.43 32.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.3 tp -69.15 -29.86 44.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.17 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.46 -42.94 97.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.079 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.8 m -62.99 -29.79 71.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.491 HG21 ' HZ ' ' A' ' 21' ' ' PHE . 48.1 t -70.42 -38.66 74.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.166 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.549 ' HB1' ' O ' ' A' ' 32' ' ' LEU . . . -67.38 -49.06 65.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -61.38 -36.92 81.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -57.64 -34.93 69.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.835 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.457 HG21 HD22 ' A' ' 37' ' ' LEU . 32.6 m -97.68 16.22 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.171 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 4.6 t 51.54 36.81 17.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.549 ' O ' ' HB1' ' A' ' 27' ' ' ALA . 20.2 tp -140.69 163.48 32.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.9 m -74.59 160.29 81.41 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.653 0.739 . . . . 0.0 110.854 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -39.04 6.93 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.664 2.242 . . . . 0.0 112.354 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.1 m -66.52 -46.74 75.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.4 mtm180 -66.38 -44.38 83.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.864 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.482 HD21 HG12 ' A' ' 26' ' ' VAL . 27.2 tp -66.64 -43.98 83.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 24.3 m -59.82 -38.65 82.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.831 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -59.76 -48.99 79.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 42.9 mt -71.65 -31.87 67.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.713 ' CE2' HG13 ' A' ' 5' ' ' VAL . 0.4 OUTLIER -63.39 -50.37 70.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.47 -27.05 66.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -79.27 -39.44 32.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 35.9 mm-40 -80.76 -40.26 25.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.5 HD12 ' CD1' ' A' ' 52' ' ' TRP . 4.0 mm? -89.14 -16.77 30.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.945 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 69.46 5.95 52.19 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.458 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 25.0 pt -149.78 175.85 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.886 0.374 . . . . 0.0 111.13 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 83.3 p -77.17 148.72 35.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.462 HG22 ' CD1' ' A' ' 41' ' ' PHE . 29.9 t -54.06 -38.89 39.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.096 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 50' ' ' LEU . 6.2 tp -61.15 -41.12 96.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.967 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.2 t -73.01 -42.04 63.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.5 ' CD1' HD12 ' A' ' 45' ' ' LEU . 66.1 t90 -59.51 -40.58 87.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.1 ttp180 -58.32 -46.68 85.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -65.87 -44.09 86.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.39 -37.78 88.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.89 -40.98 90.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.403 ' O ' HG12 ' A' ' 79' ' ' VAL . 12.9 mtp180 -58.15 -46.78 85.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.613 HG23 ' HD2' ' A' ' 91' ' ' PHE . 47.0 mm -62.08 -45.45 98.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.099 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.4 t -61.78 -37.26 83.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.469 ' O ' HD12 ' A' ' 64' ' ' LEU . 7.5 tp60 -71.41 -38.19 71.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.789 ' HB2' HG11 ' A' ' 79' ' ' VAL . . . -56.73 -36.27 69.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.123 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -70.2 -41.09 74.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.67 -48.68 80.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.7 ' HA ' HG22 ' A' ' 67' ' ' THR . 0.6 OUTLIER -68.55 -39.48 81.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.947 179.837 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.65 ' HG ' HG11 ' A' ' 75' ' ' VAL . 11.2 mt -67.93 -25.26 65.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.3 t -90.51 -26.74 19.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.7 HG22 ' HA ' ' A' ' 64' ' ' LEU . 3.8 t -94.63 -12.64 27.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.152 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.64 HG23 HG23 ' A' ' 67' ' ' THR . 3.7 p -133.04 173.71 11.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.8 18.45 12.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 73.2 mtm -61.75 156.04 57.7 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.529 0.68 . . . . 0.0 110.91 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.432 ' O ' HG23 ' A' ' 75' ' ' VAL . 54.0 Cg_endo -69.74 166.4 27.7 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.669 2.246 . . . . 0.0 112.326 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 37.9 mt -63.0 -30.88 50.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.179 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.43 -47.29 76.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 81.3 m -64.58 -50.2 68.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.191 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.65 HG11 ' HG ' ' A' ' 65' ' ' LEU . 48.3 t -59.68 -39.93 80.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.188 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.69 -32.17 58.39 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.426 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 67.7 mtp180 -70.42 -33.69 71.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.831 0.348 . . . . 0.0 110.862 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 48.6 m-20 -63.37 -31.64 72.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.789 HG11 ' HB2' ' A' ' 61' ' ' ALA . 15.9 m -90.77 13.05 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 73.53 28.49 65.45 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.492 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -122.95 116.82 24.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.81 0.338 . . . . 0.0 110.884 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -83.27 -31.55 26.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.911 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -84.11 118.06 23.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -63.51 -40.73 97.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.4 mp -67.68 -37.44 82.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.958 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.431 ' O ' HG12 ' A' ' 90' ' ' VAL . 5.3 t80 -60.09 -48.6 81.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.948 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -60.92 -45.53 94.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.4 p -65.77 -36.4 83.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 46.2 mtt-85 -64.15 -51.32 64.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.431 HG12 ' O ' ' A' ' 86' ' ' TYR . 7.3 p -70.47 -40.68 77.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.14 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.613 ' HD2' HG23 ' A' ' 58' ' ' ILE . 51.9 t80 -66.22 -36.16 82.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.36 -41.52 80.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.6 mtpp -75.81 -25.54 56.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . 0.589 ' SG ' HG21 ' A' ' 58' ' ' ILE . 26.0 t -56.14 -49.89 72.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 30.8 p -108.74 -9.54 15.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.101 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.96 -7.04 67.2 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.71 147.13 44.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.82 0.343 . . . . 0.0 111.091 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.94 162.41 38.2 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.686 0.755 . . . . 0.0 110.853 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -31.86 19.7 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.633 2.222 . . . . 0.0 112.347 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 13.8 t -67.27 -34.47 77.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -74.65 -47.59 31.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -59.66 -44.45 93.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 12.8 ttt-85 -61.33 -35.58 77.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.46 -30.41 70.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.092 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 86.99 -9.14 73.54 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.437 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 16.5 m . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 120.786 0.327 . . . . 0.0 110.863 -179.886 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.1 tpp . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.765 0.317 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -78.64 146.37 34.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.859 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.38 -45.58 93.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.2 mtt85 -55.82 -48.89 74.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.509 HG13 ' CD2' ' A' ' 41' ' ' PHE . 46.1 t -69.19 -38.18 77.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.105 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -54.58 -34.57 62.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.79 -33.37 68.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.677 ' HB2' HG11 ' A' ' 30' ' ' VAL . . . -73.43 -46.7 46.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.104 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 12.3 p -63.91 -31.41 72.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.845 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.5 tp-100 -61.7 -35.78 79.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -64.7 -35.72 81.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 69.9 mt -64.82 -35.74 75.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.136 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.9 p -58.96 -43.52 91.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -60.62 -27.01 67.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.885 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 32.2 m-70 -106.81 17.96 22.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.4 tp -57.41 -26.16 60.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -92.53 -20.96 20.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.125 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -62.89 152.56 36.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.2 p -94.39 -47.68 6.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -87.01 101.29 13.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -102.39 133.17 47.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -116.0 123.38 47.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.4 tt -69.06 -28.64 40.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.179 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.34 -40.34 90.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.121 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.7 m -62.86 -29.27 70.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.631 HG12 HD21 ' A' ' 37' ' ' LEU . 58.2 t -70.8 -47.54 62.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.148 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.798 ' HA ' HD22 ' A' ' 37' ' ' LEU . . . -67.7 -49.46 62.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -60.99 -35.33 76.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.919 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -57.36 -34.64 69.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.73 HG21 HD13 ' A' ' 37' ' ' LEU . 19.5 m -100.77 21.25 2.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.114 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 61.3 m 51.47 41.23 28.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.532 ' HB2' HG23 ' A' ' 30' ' ' VAL . 1.3 mt -140.63 163.9 31.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 m -80.05 158.97 71.77 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.623 0.725 . . . . 0.0 110.876 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -38.72 7.45 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.716 2.277 . . . . 0.0 112.354 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 p -66.97 -46.84 73.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.9 mmt180 -70.01 -39.94 75.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.798 HD22 ' HA ' ' A' ' 27' ' ' ALA . 7.4 tp -68.74 -44.33 74.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.5 t -59.61 -40.33 87.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 20.5 t60 -59.27 -48.79 80.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.88 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.9 mt -72.03 -31.08 65.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.66 ' CD1' HG22 ' A' ' 49' ' ' VAL . 0.7 OUTLIER -61.29 -51.16 70.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.907 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.6 ttp180 -68.6 -26.19 65.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -78.25 -38.88 41.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 37.1 mm-40 -81.99 -40.28 22.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.934 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.615 HD21 ' CD1' ' A' ' 52' ' ' TRP . 0.2 OUTLIER -88.96 -15.0 35.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.16 9.51 48.55 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.518 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 25.1 pt -149.51 172.06 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.839 0.352 . . . . 0.0 111.117 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 14.8 m -77.11 145.9 37.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.66 HG22 ' CD1' ' A' ' 41' ' ' PHE . 59.9 t -53.71 -44.24 58.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.4 mp -62.11 -32.96 73.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.947 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.6 m -72.96 -45.06 60.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.615 ' CD1' HD21 ' A' ' 45' ' ' LEU . 59.5 t90 -58.55 -40.5 83.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.922 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 29.3 ttt85 -60.48 -47.15 87.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.853 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -65.99 -46.67 77.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -55.88 -37.65 69.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -66.0 -38.84 89.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.48 ' O ' HG11 ' A' ' 79' ' ' VAL . 11.5 mtp180 -58.17 -46.94 84.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.686 HG22 ' HD2' ' A' ' 62' ' ' LYS . 44.7 mm -73.05 -39.76 57.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.1 t -60.6 -40.92 93.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.5 tm0? -71.49 -38.24 71.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.89 -36.33 82.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.074 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.686 ' HD2' HG22 ' A' ' 58' ' ' ILE . 14.1 mttm -71.41 -33.03 69.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.5 tt -67.87 -50.03 58.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.927 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.637 HD21 HG13 ' A' ' 75' ' ' VAL . 2.4 pp -69.44 -37.67 77.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.961 HD21 HG21 ' A' ' 75' ' ' VAL . 21.4 mt -64.92 -28.73 69.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.7 m -70.41 -16.18 62.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.551 HG23 HG23 ' A' ' 68' ' ' THR . 7.2 t -122.68 1.55 9.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.127 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.551 HG23 HG23 ' A' ' 67' ' ' THR . 33.6 p -133.34 161.74 33.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.48 18.28 10.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 54.9 mtm -63.6 156.82 69.58 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.544 0.687 . . . . 0.0 110.885 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 155.0 67.34 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.709 2.273 . . . . 0.0 112.353 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 57.9 mt -51.82 -30.87 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.68 -47.19 70.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.103 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 99.3 m -66.3 -40.43 89.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.156 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.961 HG21 HD21 ' A' ' 65' ' ' LEU . 97.8 t -67.78 -43.43 86.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.142 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.67 -43.52 91.43 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.454 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 20.2 mtt-85 -57.69 -34.91 69.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.817 0.341 . . . . 0.0 110.895 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -69.13 -15.52 63.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.48 HG11 ' O ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -108.14 -1.85 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 179.926 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.9 27.89 11.87 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.484 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -105.72 117.21 33.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.846 0.355 . . . . 0.0 110.829 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -79.42 -31.52 42.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -111.3 118.45 35.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.514 ' CG ' HD22 ' A' ' 85' ' ' LEU . 14.3 pt20 -63.03 -32.4 73.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.932 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.514 HD22 ' CG ' ' A' ' 84' ' ' GLN . 4.3 mm? -66.18 -38.07 87.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -59.09 -48.88 79.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -53.55 -35.05 60.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.7 p -66.17 -37.5 85.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -62.87 -51.05 68.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.833 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 92.8 t -70.38 -45.59 74.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.092 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.676 ' CD2' HG23 ' A' ' 58' ' ' ILE . 34.2 t80 -61.48 -36.17 79.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 36.3 tttt -57.92 -48.36 80.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.2 pttp -76.01 -24.71 55.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . 0.481 ' SG ' HG21 ' A' ' 58' ' ' ILE . 13.5 t -55.31 -50.25 70.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 77.1 p -111.56 -8.96 14.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.97 -6.91 67.08 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.516 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.66 154.99 49.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.835 0.35 . . . . 0.0 111.095 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.66 162.9 31.66 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.682 0.753 . . . . 0.0 110.843 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -29.39 24.26 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.714 2.276 . . . . 0.0 112.35 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 37.5 p -67.45 -33.75 75.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.826 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.33 -47.86 46.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -62.06 -43.72 98.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 22.3 tpt85 -59.24 -32.75 70.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.03 -32.89 74.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 89.24 -9.12 78.15 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.482 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 6.4 t . . . . . 0 C--N 1.328 -0.35 0 CA-C-O 120.777 0.322 . . . . 0.0 110.859 -179.866 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.806 0.336 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -78.96 148.31 32.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.849 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -55.41 -43.22 75.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 42.0 mtt85 -62.04 -45.19 94.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.773 HG21 ' HG3' ' A' ' 44' ' ' GLN . 95.6 t -67.3 -39.01 81.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -55.05 -34.76 63.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -64.42 -36.61 84.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.55 -39.83 94.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 33.8 t -60.38 -34.96 74.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -63.66 -43.79 95.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.431 ' HD2' HG22 ' A' ' 26' ' ' VAL . 73.0 t80 -69.46 -46.34 66.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.9 mt -61.11 -36.53 73.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.151 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.7 p -58.51 -44.89 89.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.845 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -67.32 -31.59 71.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -94.05 17.83 11.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.694 HD11 ' HG3' ' A' ' 57' ' ' ARG . 6.2 tp -65.59 -26.99 68.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -93.37 -20.92 19.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.077 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -61.94 135.16 57.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.5 m -77.03 -51.27 11.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 48.8 m-20 -87.79 94.22 9.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.568 ' HZ ' HG21 ' A' ' 26' ' ' VAL . 16.2 t80 -80.26 136.94 36.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -115.94 97.65 6.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 7.4 tp -57.83 -29.29 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.64 98.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.2 m -63.0 -36.45 83.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.568 HG21 ' HZ ' ' A' ' 21' ' ' PHE . 39.3 t -63.49 -46.05 96.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.126 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.603 ' HA ' HD22 ' A' ' 37' ' ' LEU . . . -67.35 -45.4 76.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -61.38 -37.07 82.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.856 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -58.09 -34.77 70.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.487 HG23 ' HB2' ' A' ' 32' ' ' LEU . 15.3 m -98.68 20.05 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 3.7 t 51.3 36.73 16.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.535 ' O ' ' HB1' ' A' ' 27' ' ' ALA . 0.4 OUTLIER -135.78 164.17 28.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.9 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.0 159.99 61.54 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.686 0.755 . . . . 0.0 110.847 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -39.07 7.0 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.677 2.252 . . . . 0.0 112.384 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.9 t -67.33 -43.75 80.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.0 -44.2 63.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.603 HD22 ' HA ' ' A' ' 27' ' ' ALA . 22.1 tp -60.73 -44.64 96.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.4 t -60.08 -39.88 87.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 16.7 t60 -59.7 -48.72 80.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.895 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 67.2 mt -70.82 -32.1 69.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.949 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.545 ' CE1' HG13 ' A' ' 5' ' ' VAL . 0.4 OUTLIER -64.14 -35.02 79.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 179.919 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.71 -46.81 86.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -79.95 -32.94 39.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.773 ' HG3' HG21 ' A' ' 5' ' ' VAL . 58.7 mm-40 -70.13 -40.56 74.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.54 HD12 ' CD1' ' A' ' 52' ' ' TRP . 4.0 mm? -100.76 -9.63 21.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 73.21 0.79 54.66 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.471 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.43 HD11 ' HA ' ' A' ' 52' ' ' TRP . 32.4 pt -150.14 177.77 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.858 0.361 . . . . 0.0 111.11 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.94 144.46 41.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.0 p -53.36 -35.51 24.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.169 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 74.1 mt -62.69 -44.47 96.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.92 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.6 t -73.12 -39.3 65.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.54 ' CD1' HD12 ' A' ' 45' ' ' LEU . 79.0 t90 -58.41 -40.0 81.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.19 -45.62 87.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.913 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -65.89 -42.23 90.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -57.79 -43.38 85.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 51.5 mm-40 -66.02 -34.73 78.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.694 ' HG3' HD11 ' A' ' 16' ' ' LEU . 31.5 mtt180 -62.07 -46.75 87.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.554 HG21 ' SG ' ' A' ' 94' ' ' CYS . 41.6 mm -66.13 -45.26 90.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.143 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.5 t -63.48 -37.5 87.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 49.5 tp60 -71.33 -38.74 71.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.575 ' HB2' HG11 ' A' ' 79' ' ' VAL . . . -56.56 -37.65 70.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.139 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 46.9 mttt -62.99 -39.78 95.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.1 tt -63.77 -45.17 90.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.689 ' HA ' HG22 ' A' ' 67' ' ' THR . 1.2 mt -69.97 -44.18 69.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.938 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.627 ' HG ' HG11 ' A' ' 75' ' ' VAL . 6.8 mt -67.09 -25.36 66.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 57.7 m -90.8 -26.67 19.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.689 HG22 ' HA ' ' A' ' 64' ' ' LEU . 3.6 t -94.55 -12.23 27.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.144 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.628 HG23 HG23 ' A' ' 67' ' ' THR . 3.9 p -132.94 173.55 11.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.158 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.54 18.32 12.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 72.1 mtm -64.16 155.78 77.71 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.601 0.715 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.522 ' O ' HG23 ' A' ' 75' ' ' VAL . 53.7 Cg_endo -69.77 166.44 27.59 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.709 2.272 . . . . 0.0 112.35 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 40.4 mt -62.25 -30.73 49.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.129 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.5 -47.26 76.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 60.8 m -65.66 -50.22 65.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.17 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.627 HG11 ' HG ' ' A' ' 65' ' ' LEU . 45.0 t -57.38 -39.96 71.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.159 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.65 -32.07 58.19 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.488 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 24.2 mmm-85 -70.61 -33.6 71.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.865 0.364 . . . . 0.0 110.908 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -63.34 -31.85 73.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.575 HG11 ' HB2' ' A' ' 61' ' ' ALA . 16.0 m -90.27 11.94 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 74.82 28.39 62.96 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.478 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -123.09 116.9 24.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.868 0.366 . . . . 0.0 110.848 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -79.85 -31.38 40.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -88.78 118.61 28.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.49 ' HG3' HD22 ' A' ' 85' ' ' LEU . 12.6 pt20 -62.79 -40.66 98.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.933 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.49 HD22 ' HG3' ' A' ' 84' ' ' GLN . 3.8 mm? -63.41 -32.97 74.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.952 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -59.89 -48.04 83.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -66.8 -39.82 87.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.849 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 49.7 m -65.38 -36.6 84.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.3 mmm-85 -63.94 -51.19 65.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.844 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.407 HG13 ' N ' ' A' ' 91' ' ' PHE . 7.1 p -70.6 -40.56 77.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.407 ' N ' HG13 ' A' ' 90' ' ' VAL . 45.4 t80 -66.35 -35.84 81.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 53.4 tttt -57.73 -46.27 84.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.1 pttp -75.69 -24.55 56.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . 0.554 ' SG ' HG21 ' A' ' 58' ' ' ILE . 23.2 t -55.35 -50.01 70.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 28.9 p -111.61 -8.59 14.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 96.21 -7.51 66.77 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.545 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.73 153.89 49.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.726 0.298 . . . . 0.0 111.111 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.29 163.13 27.15 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.639 0.733 . . . . 0.0 110.889 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -29.82 23.34 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.656 2.238 . . . . 0.0 112.338 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.3 p -67.45 -33.75 75.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.89 -47.89 49.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -58.47 -37.62 75.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -68.17 -34.32 76.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.06 -33.82 76.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.114 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 86.39 11.95 71.0 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.498 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.328 -0.361 0 CA-C-O 120.773 0.32 . . . . 0.0 110.908 -179.917 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.742 0.306 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -82.53 148.49 28.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -56.89 -45.67 82.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.87 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.2 ttm-85 -60.26 -45.67 92.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.927 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.668 HG13 ' CE1' ' A' ' 41' ' ' PHE . 98.4 t -66.83 -38.46 81.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.75 -34.7 62.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -72.39 -33.22 67.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.405 ' HB1' ' CG1' ' A' ' 26' ' ' VAL . . . -71.16 -47.58 56.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.058 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 15.0 p -65.84 -31.64 72.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -63.68 -41.68 98.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.959 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -69.72 -44.11 70.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.933 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.486 HD11 HG11 ' A' ' 26' ' ' VAL . 51.0 mt -62.31 -38.33 80.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.099 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.3 t -62.47 -44.36 96.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -60.23 -37.88 81.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -96.86 17.93 15.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 31.7 tp -56.63 -26.24 55.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.0 -21.0 31.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -64.95 153.37 40.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.5 m -94.36 -51.01 4.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.824 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -81.17 107.9 14.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.539 ' HZ ' HG21 ' A' ' 26' ' ' VAL . 22.6 t80 -110.71 132.42 54.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -116.05 103.93 11.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.879 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 7.3 tp -57.08 -30.14 33.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.116 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.41 -42.18 98.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.087 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 70.7 m -62.98 -34.96 78.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.539 HG21 ' HZ ' ' A' ' 21' ' ' PHE . 91.8 t -67.2 -44.41 87.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.133 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.54 ' HA ' HD22 ' A' ' 37' ' ' LEU . . . -66.97 -43.8 82.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -62.11 -37.22 84.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -57.98 -34.78 70.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 32.6 m -97.0 17.06 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 4.6 t 51.48 38.82 23.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.537 ' O ' ' HB1' ' A' ' 27' ' ' ALA . 0.2 OUTLIER -140.94 163.86 31.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.931 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.405 ' H ' HD23 ' A' ' 32' ' ' LEU . 0.6 OUTLIER -83.63 160.28 59.2 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.745 0.784 . . . . 0.0 110.82 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -36.22 11.21 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.693 2.262 . . . . 0.0 112.318 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.0 t -67.14 -46.77 73.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.824 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.4 -44.85 61.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.54 HD22 ' HA ' ' A' ' 27' ' ' ALA . 21.7 tp -59.87 -44.26 94.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.7 t -59.68 -37.35 78.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.851 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -59.82 -50.25 74.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.833 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.7 mt -72.38 -32.32 66.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.668 ' CE1' HG13 ' A' ' 5' ' ' VAL . 0.6 OUTLIER -57.61 -48.75 78.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.428 ' HA ' ' O ' ' A' ' 47' ' ' ILE . 0.4 OUTLIER -68.44 -25.32 64.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.3 tm0? -78.46 -40.48 35.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.9 mm-40 -82.03 -39.64 23.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.692 HD21 ' CD1' ' A' ' 52' ' ' TRP . 0.3 OUTLIER -88.33 -17.88 29.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 69.94 6.13 55.13 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.493 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.593 HG12 HD22 ' A' ' 45' ' ' LEU . 18.8 pt -147.23 174.42 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.847 0.356 . . . . 0.0 111.12 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.0 p -75.91 140.84 42.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.8 p -52.76 -43.39 44.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.105 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 83.1 mt -63.78 -32.65 74.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 27.4 t -73.09 -43.7 61.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.692 ' CD1' HD21 ' A' ' 45' ' ' LEU . 74.7 t90 -57.05 -40.51 76.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.975 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.7 ttp180 -58.33 -47.04 85.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.817 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -66.35 -38.18 87.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -66.63 -37.04 84.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -66.65 -45.0 80.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 19.4 ptt180 -70.99 -42.38 69.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.851 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.467 HG23 ' CD1' ' A' ' 91' ' ' PHE . 23.3 mm -66.96 -40.61 86.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.0 t -70.29 -33.48 71.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -71.5 -39.14 71.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.492 ' HB2' HG11 ' A' ' 79' ' ' VAL . . . -64.15 -46.85 82.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -71.68 -33.24 68.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.491 ' C ' HD13 ' A' ' 63' ' ' LEU . 3.1 tm? -67.99 -50.03 58.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.507 HD11 HG13 ' A' ' 75' ' ' VAL . 2.7 pp -70.03 -37.81 75.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.861 HD21 HG21 ' A' ' 75' ' ' VAL . 6.3 mt -55.09 -29.07 56.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.6 t -74.17 -34.02 63.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.422 HG22 ' HA ' ' A' ' 64' ' ' LEU . 8.7 t -98.74 7.8 45.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.166 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 64' ' ' LEU . 43.4 p -133.19 162.09 32.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.187 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.44 18.4 10.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 78.2 mtm -70.44 155.36 93.54 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.582 0.706 . . . . 0.0 110.85 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.516 ' O ' HG23 ' A' ' 75' ' ' VAL . 53.5 Cg_endo -69.78 153.04 69.31 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.618 2.212 . . . . 0.0 112.342 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 70.5 mt -52.47 -30.86 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.092 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.46 -47.2 73.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 99.1 m -67.59 -45.11 76.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.137 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.861 HG21 HD21 ' A' ' 65' ' ' LEU . 42.0 t -56.2 -40.54 65.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.122 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.484 ' O ' HG22 ' A' ' 79' ' ' VAL . . . -57.45 -42.89 94.08 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.475 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 66.6 mtt180 -57.43 -34.1 68.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.806 0.336 . . . . 0.0 110.845 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -61.31 -31.72 71.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.494 HG23 ' CD1' ' A' ' 81' ' ' PHE . 33.8 m -100.27 17.85 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.151 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 75.82 2.52 70.81 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.446 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.494 ' CD1' HG23 ' A' ' 79' ' ' VAL . 4.0 m-85 -82.4 117.14 22.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.865 0.364 . . . . 0.0 110.833 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -87.21 -31.55 20.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.92 119.07 31.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -62.49 -41.01 98.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 31.9 mt -69.07 -33.86 74.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -60.86 -40.59 93.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -66.66 -48.16 70.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 28.3 t -65.48 -37.26 86.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 43.5 mmm-85 -62.5 -51.4 67.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.824 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 89.7 t -70.84 -45.48 73.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.095 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.467 ' CD1' HG23 ' A' ' 58' ' ' ILE . 13.3 t80 -61.26 -35.47 77.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 63.6 tttt -56.83 -49.24 76.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 30.0 mttm -77.35 -25.71 51.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.97 -50.04 75.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.543 HG23 ' H ' ' A' ' 97' ' ' ALA . 1.9 t -104.94 -12.1 16.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.81 -8.47 68.2 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.521 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.543 ' H ' HG23 ' A' ' 95' ' ' THR . . . -137.76 153.78 49.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.764 0.316 . . . . 0.0 111.122 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.426 ' CB ' ' HD2' ' A' ' 99' ' ' PRO . 0.6 OUTLIER -69.23 166.37 29.94 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.728 0.775 . . . . 0.0 110.826 -179.789 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.426 ' HD2' ' CB ' ' A' ' 98' ' ' SER . 53.6 Cg_endo -69.78 -36.78 10.13 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.728 2.286 . . . . 0.0 112.306 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 67.9 m -68.61 -32.73 72.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.831 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -66.85 -48.23 69.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.941 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -58.01 -46.37 85.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 -71.9 -30.58 65.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.15 -27.13 68.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 82.42 12.0 81.15 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.522 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 9.2 t . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 120.775 0.321 . . . . 0.0 110.875 -179.892 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.1 ttt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.728 0.299 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.31 147.64 25.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.837 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 31.7 m120 -65.11 -28.71 69.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 33.0 mtt-85 -70.96 -49.43 45.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.817 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 31.1 m -69.16 -37.3 76.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.137 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.4 ttt-85 -54.11 -37.53 64.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.404 ' HB3' HG12 ' A' ' 30' ' ' VAL . 1.5 tp10 -72.39 -32.98 66.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.858 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.54 ' HB1' ' CG1' ' A' ' 26' ' ' VAL . . . -73.92 -47.25 39.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.153 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.564 ' HA ' HD12 ' A' ' 12' ' ' ILE . 12.8 p -62.18 -31.2 71.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 28.7 tp60 -68.52 -35.5 77.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.939 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -69.36 -43.79 72.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.975 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.564 HD12 ' HA ' ' A' ' 9' ' ' CYS . 5.6 mt -61.21 -36.06 70.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.14 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.9 t -57.14 -38.53 73.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -67.31 -33.84 76.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -99.09 17.96 18.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.892 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.9 tp -55.61 -26.24 43.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.947 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.12 -20.92 21.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.073 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -62.07 139.54 58.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.5 p -81.78 -51.61 7.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -85.27 107.28 17.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.867 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.579 ' HZ ' HG21 ' A' ' 26' ' ' VAL . 24.8 t80 -111.69 132.95 54.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -116.09 113.78 23.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.2 tt -64.13 -28.85 45.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.152 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.49 -44.96 92.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.072 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.5 m -62.97 -29.54 70.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.843 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.579 HG21 ' HZ ' ' A' ' 21' ' ' PHE . 88.0 t -68.72 -39.12 79.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.119 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.595 ' HB1' ' O ' ' A' ' 32' ' ' LEU . . . -67.18 -42.52 84.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.11 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -63.34 -37.16 86.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -58.02 -34.88 70.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.853 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.592 HG23 ' HB2' ' A' ' 32' ' ' LEU . 27.0 m -96.69 14.77 3.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.14 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 60.3 m 51.46 38.18 21.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.595 ' O ' ' HB1' ' A' ' 27' ' ' ALA . 1.2 mt -140.99 162.37 35.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.1 m -80.31 160.11 68.61 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.639 0.733 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -35.58 12.45 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.65 2.233 . . . . 0.0 112.381 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.6 m -67.0 -47.14 72.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 -72.75 -38.18 67.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.557 HD22 ' HA ' ' A' ' 27' ' ' ALA . 25.1 tp -69.41 -39.27 78.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 84.3 p -59.23 -39.97 84.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -59.51 -48.81 80.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.832 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.0 mt -71.21 -31.2 67.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.942 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.56 ' CD2' HG22 ' A' ' 49' ' ' VAL . 0.4 OUTLIER -67.81 -50.98 53.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.1 mtp180 -70.96 -27.58 63.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.859 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 20.4 tp60 -79.86 -39.96 29.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 74.7 mm-40 -80.9 -40.64 24.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.419 HD23 ' N ' ' A' ' 45' ' ' LEU . 4.6 mt -89.44 -18.72 26.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 78.75 -2.71 67.11 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.502 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.461 HD13 ' H ' ' A' ' 47' ' ' ILE . 0.1 OUTLIER -149.41 168.94 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.814 0.34 . . . . 0.0 111.139 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.5 m -76.54 155.5 33.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.843 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.56 HG22 ' CD2' ' A' ' 41' ' ' PHE . 35.2 t -53.59 -39.33 37.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -54.65 -44.22 73.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.8 m -73.14 -43.76 61.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -59.15 -40.55 85.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.951 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -60.17 -47.22 86.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.05 -38.28 87.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -67.06 -36.88 83.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 35.6 mm-40 -66.72 -45.08 79.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.7 ptt180 -70.26 -41.17 73.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 26.3 mm -70.4 -32.41 50.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.126 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.5 t -66.83 -39.4 87.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.837 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 39.1 tp60 -67.27 -40.6 86.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.465 ' HB2' HG11 ' A' ' 79' ' ' VAL . . . -57.09 -46.11 82.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp -71.38 -32.99 69.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.1 tt -67.22 -50.08 62.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.934 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.417 ' O ' HG23 ' A' ' 68' ' ' THR . 2.4 pp -69.92 -37.68 76.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 1.001 HD21 HG21 ' A' ' 75' ' ' VAL . 14.9 mt -64.79 -28.81 69.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 28.7 t -71.04 -17.31 62.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.541 HG23 HG23 ' A' ' 68' ' ' THR . 10.0 t -120.48 2.03 10.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.114 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.541 HG23 HG23 ' A' ' 67' ' ' THR . 35.5 p -133.23 161.66 33.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.156 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.49 18.42 10.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 59.6 mtm -62.54 156.28 63.85 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.626 0.727 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.5 ' O ' HG23 ' A' ' 75' ' ' VAL . 53.5 Cg_endo -69.8 166.46 27.56 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.695 2.264 . . . . 0.0 112.334 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 37.3 mm -61.51 -30.84 49.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.69 -47.23 76.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.3 m -69.07 -47.26 65.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.123 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 1.001 HG21 HD21 ' A' ' 65' ' ' LEU . 86.2 t -56.18 -40.76 66.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.156 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.481 ' O ' HG22 ' A' ' 79' ' ' VAL . . . -56.73 -41.69 90.58 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.457 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 69.7 mtt180 -57.54 -33.94 68.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.866 0.365 . . . . 0.0 110.89 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -63.7 -31.88 73.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.5 HG23 ' CD1' ' A' ' 81' ' ' PHE . 33.7 m -98.14 17.6 2.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 74.12 4.42 67.94 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.477 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.5 ' CD1' HG23 ' A' ' 79' ' ' VAL . 3.5 m-85 -82.5 116.99 22.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.863 0.363 . . . . 0.0 110.856 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -81.74 -31.67 31.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -99.5 119.07 37.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.469 ' H ' ' NE2' ' A' ' 84' ' ' GLN . 0.0 OUTLIER -62.28 -35.1 77.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.92 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.7 mt -69.62 -35.42 75.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.95 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -60.25 -40.52 90.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -66.85 -46.08 76.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.85 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.6 p -65.49 -37.39 86.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.8 mtt-85 -62.56 -51.03 68.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 92.7 t -70.6 -45.61 73.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.145 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -61.36 -35.73 78.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 55.3 tttt -56.98 -48.49 78.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.29 -25.62 55.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 3.8 t -57.91 -50.01 74.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 47.0 p -106.17 -11.05 16.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.11 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.73 -7.36 67.94 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.47 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.65 148.49 45.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.737 0.303 . . . . 0.0 111.125 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.13 162.45 39.33 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.664 0.745 . . . . 0.0 110.841 -179.755 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -32.58 18.44 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.658 2.238 . . . . 0.0 112.313 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.9 p -67.31 -34.12 76.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.63 -47.53 31.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -60.14 -45.97 91.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 25.5 tpt85 -59.3 -40.4 86.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.854 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -67.11 -26.45 66.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 89.71 -9.2 77.99 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.516 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 35.5 t . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 120.744 0.307 . . . . 0.0 110.873 -179.833 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.799 0.333 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -78.56 148.62 33.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -54.77 -32.86 60.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.0 tpp180 -70.94 -44.62 65.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.605 HG13 ' CD1' ' A' ' 41' ' ' PHE . 97.8 t -69.07 -39.7 79.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 -56.44 -35.19 67.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.71 -41.4 99.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.429 ' HB2' HG11 ' A' ' 30' ' ' VAL . . . -70.28 -36.28 74.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.058 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 66.5 m -60.24 -36.71 78.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.925 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 62.0 tp60 -61.38 -36.52 80.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.513 ' HD2' HG22 ' A' ' 26' ' ' VAL . 40.8 t80 -68.01 -44.07 77.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.9 mt -64.26 -36.95 78.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.123 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.4 t -66.34 -44.76 82.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -67.41 -25.33 65.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.877 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -100.49 18.05 20.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.817 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.0 tt -63.49 -26.52 68.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.53 -21.01 22.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.045 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.88 142.61 57.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.909 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.3 t -80.5 -48.35 12.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -84.49 97.6 9.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -107.77 108.58 19.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.572 ' OD2' ' HB3' ' A' ' 24' ' ' ALA . 1.0 OUTLIER -116.85 132.98 56.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 13.3 tt -69.25 -23.14 26.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.111 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.572 ' HB3' ' OD2' ' A' ' 22' ' ' ASP . . . -58.93 -40.88 85.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.9 t -70.12 -29.59 66.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.805 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.513 HG22 ' HD2' ' A' ' 11' ' ' TYR . 86.7 t -68.05 -47.21 79.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.12 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.598 ' HB1' ' O ' ' A' ' 32' ' ' LEU . . . -63.04 -40.16 96.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.083 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -63.97 -36.98 85.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -57.86 -34.59 69.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.429 HG11 ' HB2' ' A' ' 8' ' ' ALA . 27.9 m -98.49 16.11 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 87.2 m 51.52 36.63 17.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.598 ' O ' ' HB1' ' A' ' 27' ' ' ALA . 7.1 tp -136.14 164.42 28.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.3 m -81.94 159.67 65.24 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.643 0.735 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 -39.09 6.85 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.626 2.217 . . . . 0.0 112.294 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.0 t -64.62 -46.82 80.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.877 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.4 tpt180 -71.54 -35.16 70.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.0 tp -68.5 -44.52 74.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 75.7 m -59.44 -39.95 85.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -59.46 -49.09 79.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.4 mt -71.85 -32.04 67.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.605 ' CD1' HG13 ' A' ' 5' ' ' VAL . 0.6 OUTLIER -61.14 -50.63 72.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.925 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.433 ' HA ' ' O ' ' A' ' 47' ' ' ILE . 48.5 ttt180 -69.9 -23.88 63.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -78.78 -43.47 25.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 57.1 mm-40 -81.92 -40.46 22.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.536 HD21 ' CD1' ' A' ' 52' ' ' TRP . 0.3 OUTLIER -88.0 -14.55 38.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.35 4.54 51.46 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.489 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.444 ' CG1' HD22 ' A' ' 45' ' ' LEU . 28.2 pt -150.14 163.29 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.83 0.348 . . . . 0.0 111.107 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 t -74.38 146.15 43.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.7 p -54.27 -32.86 24.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.14 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.9 tp -62.79 -45.99 90.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.5 m -73.03 -38.55 66.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.536 ' CD1' HD21 ' A' ' 45' ' ' LEU . 43.6 t90 -58.28 -40.51 82.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.932 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -47.32 81.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -62.61 -46.31 88.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.37 -41.15 93.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.872 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -70.3 -34.98 73.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 -57.81 -47.07 83.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.575 HG21 ' SG ' ' A' ' 94' ' ' CYS . 50.1 mm -73.4 -45.01 53.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.142 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 60.4 m -58.54 -33.62 70.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 38.2 tp60 -70.06 -44.59 68.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.433 ' O ' HD12 ' A' ' 65' ' ' LEU . . . -70.77 -36.85 73.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.27 -43.55 64.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.7 tp -57.88 -50.54 72.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.918 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.47 HD12 ' OG1' ' A' ' 68' ' ' THR . 1.8 pp -68.95 -36.79 78.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.621 HD21 HG21 ' A' ' 75' ' ' VAL . 6.0 mt -59.81 -28.99 67.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 58.6 m -71.64 -26.01 62.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.452 HG23 HG23 ' A' ' 68' ' ' THR . 7.6 t -110.58 5.91 21.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.155 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.47 ' OG1' HD12 ' A' ' 64' ' ' LEU . 44.5 p -133.27 160.47 37.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.166 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.21 18.28 10.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.879 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 53.7 mtm -68.62 153.36 95.9 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.58 0.705 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 158.06 58.2 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.704 2.269 . . . . 0.0 112.322 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 6.0 mt -51.76 -35.4 17.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.441 ' HB2' ' OE1' ' A' ' 84' ' ' GLN . . . -59.54 -47.23 86.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.091 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 90.9 m -66.61 -49.07 67.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.196 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.621 HG21 HD21 ' A' ' 65' ' ' LEU . 39.5 t -57.96 -39.99 74.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.17 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.81 -32.48 58.99 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.489 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.5 -33.36 75.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.851 0.357 . . . . 0.0 110.93 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -66.07 -31.44 72.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 15.6 m -92.32 11.45 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.124 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 76.35 3.4 76.95 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.523 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -94.89 116.57 28.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.83 0.348 . . . . 0.0 110.894 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -85.5 -26.67 26.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -87.07 118.87 26.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.441 ' OE1' ' HB2' ' A' ' 73' ' ' ALA . 27.1 tt0 -62.62 -38.09 88.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -67.71 -32.98 73.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -62.12 -48.52 79.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -66.62 -43.69 84.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.928 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.8 p -64.79 -37.42 87.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.846 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 60.1 mtt180 -62.74 -50.44 71.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 88.9 t -70.22 -46.01 73.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.527 ' HD2' HG23 ' A' ' 58' ' ' ILE . 58.2 t80 -61.36 -36.29 79.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.63 -47.28 82.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? -75.55 -25.03 56.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.962 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . 0.575 ' SG ' HG21 ' A' ' 58' ' ' ILE . 13.5 t -55.4 -49.78 71.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 40.5 p -110.74 -8.87 14.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.93 -6.49 66.94 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.462 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.63 148.45 45.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.829 0.347 . . . . 0.0 111.128 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.1 162.14 42.0 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.663 0.744 . . . . 0.0 110.826 -179.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -32.26 19.12 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.73 2.287 . . . . 0.0 112.34 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.468 ' O ' ' HB2' ' A' ' 104' ' ' ALA . 54.7 p -67.28 -34.15 76.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -74.58 -47.69 31.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.925 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -65.72 -47.47 75.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.3 -30.12 70.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.468 ' HB2' ' O ' ' A' ' 100' ' ' SER . . . -60.53 -28.4 68.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 82.18 12.0 81.48 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.481 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 9.9 t . . . . . 0 C--N 1.328 -0.348 0 CA-C-O 120.796 0.331 . . . . 0.0 110.841 -179.852 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.73 0.3 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -79.08 148.49 32.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.828 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 30.3 m-20 -53.8 -45.43 70.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 31.0 mtm180 -59.28 -42.61 91.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.829 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.642 HG13 ' CD2' ' A' ' 41' ' ' PHE . 48.1 t -68.82 -38.64 79.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.09 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.95 -34.64 76.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -62.14 -34.66 76.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.468 ' O ' HD12 ' A' ' 12' ' ' ILE . . . -58.65 -35.88 73.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.7 t -59.64 -33.84 72.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 65.1 mm-40 -60.77 -43.64 97.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -69.55 -48.55 59.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.58 HD13 ' HZ3' ' A' ' 52' ' ' TRP . 5.8 mt -61.4 -35.95 69.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.112 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.1 t -57.28 -44.09 83.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.818 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -67.52 -34.55 77.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -95.73 17.93 14.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.7 tp -62.25 -26.43 68.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -93.48 -21.03 19.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.066 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -62.05 146.66 49.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m -88.79 -50.36 6.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -81.78 103.71 11.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -103.92 127.38 51.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -115.98 110.67 19.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.8 tt -57.16 -24.19 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.74 -44.9 90.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.13 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 72.7 m -64.2 -29.51 70.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.843 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.426 HG12 HD21 ' A' ' 37' ' ' LEU . 61.7 t -64.86 -48.01 86.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.08 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.769 ' HA ' HD22 ' A' ' 37' ' ' LEU . . . -67.56 -39.89 84.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -62.75 -37.21 85.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -57.95 -34.87 70.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.832 HG21 HD13 ' A' ' 37' ' ' LEU . 33.8 m -96.61 16.42 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 63.3 m 51.53 37.03 18.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.563 ' O ' ' HB1' ' A' ' 27' ' ' ALA . 12.0 tp -138.64 163.98 30.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.1 m -73.96 159.89 83.08 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.681 0.753 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.479 ' HA ' ' HB2' ' A' ' 27' ' ' ALA . 54.4 Cg_endo -69.71 -39.44 6.6 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.721 2.281 . . . . 0.0 112.346 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.7 m -67.57 -46.89 71.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.1 tpp180 -65.21 -43.09 92.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.857 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.832 HD13 HG21 ' A' ' 30' ' ' VAL . 13.0 tp -68.83 -44.3 73.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 83.6 p -59.9 -39.92 87.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 16.7 t60 -59.5 -48.94 79.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.0 mt -71.89 -31.46 66.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.642 ' CD2' HG13 ' A' ' 5' ' ' VAL . 0.6 OUTLIER -59.34 -50.23 74.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 27.9 ttp85 -68.5 -25.84 65.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -78.06 -40.43 38.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 41.2 mm-40 -81.48 -39.49 24.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.619 HD21 ' CD1' ' A' ' 52' ' ' TRP . 0.3 OUTLIER -88.53 -16.86 31.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.89 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 67.85 8.48 53.23 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.544 HG12 HD22 ' A' ' 45' ' ' LEU . 21.1 pt -149.36 172.34 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.835 0.35 . . . . 0.0 111.16 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 m -77.36 146.63 36.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.525 HG22 ' CD1' ' A' ' 41' ' ' PHE . 29.4 t -54.02 -40.07 44.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.114 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 34.5 mt -62.12 -37.43 85.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 18.0 t -72.81 -43.21 63.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.619 ' CD1' HD21 ' A' ' 45' ' ' LEU . 52.6 t90 -58.73 -42.49 88.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.19 -47.13 87.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -65.92 -43.54 87.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.9 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -55.16 -49.03 72.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 16.9 mm100 -66.24 -34.91 79.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 39.0 mtt180 -59.21 -45.59 90.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.592 HG23 ' HD2' ' A' ' 91' ' ' PHE . 50.9 mm -70.88 -45.26 74.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.142 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 24.2 t -59.38 -38.37 80.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.82 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 21.0 tp60 -71.4 -38.45 71.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.503 ' HB2' HG11 ' A' ' 79' ' ' VAL . . . -63.72 -46.17 86.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.083 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -71.18 -33.39 69.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.1 tt -67.94 -50.11 57.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.955 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.601 HD11 HG13 ' A' ' 75' ' ' VAL . 2.5 pp -69.72 -37.74 76.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.913 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.747 HD21 HG21 ' A' ' 75' ' ' VAL . 7.0 mt -56.67 -28.97 61.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.0 p -74.46 -34.42 63.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.406 HG22 ' HA ' ' A' ' 64' ' ' LEU . 9.6 t -98.73 8.49 44.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.186 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.478 HG23 ' O ' ' A' ' 64' ' ' LEU . 48.7 p -133.31 159.43 40.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.14 18.34 10.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 61.4 mtm -73.68 155.38 89.13 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.567 0.699 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.547 ' O ' HG23 ' A' ' 75' ' ' VAL . 53.5 Cg_endo -69.75 162.43 42.1 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.693 2.262 . . . . 0.0 112.294 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 43.8 mm -57.26 -30.85 36.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.181 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.96 -47.17 78.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.078 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 45.3 m -70.41 -44.6 67.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.14 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.747 HG21 HD21 ' A' ' 65' ' ' LEU . 81.8 t -56.14 -40.6 65.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.089 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.48 ' O ' HG22 ' A' ' 79' ' ' VAL . . . -56.72 -40.79 89.46 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.514 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 26.4 mtp85 -57.74 -34.38 69.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.882 0.373 . . . . 0.0 110.862 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -62.09 -31.8 72.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.907 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.503 HG11 ' HB2' ' A' ' 61' ' ' ALA . 33.0 m -99.47 18.03 2.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.113 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 73.34 5.21 66.37 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.5 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.491 ' CD1' HG23 ' A' ' 79' ' ' VAL . 3.6 m-85 -83.15 116.95 22.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.337 . . . . 0.0 110.891 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.31 -31.47 23.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -94.16 119.23 32.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.425 ' HG3' HD22 ' A' ' 85' ' ' LEU . 5.8 pt20 -62.19 -40.77 97.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.927 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.425 HD22 ' HG3' ' A' ' 84' ' ' GLN . 4.0 mm? -68.89 -32.99 73.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -59.99 -41.7 92.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.429 ' CZ ' ' HB1' ' A' ' 61' ' ' ALA . 60.9 t80 -66.83 -45.69 77.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 77.3 p -65.46 -37.99 88.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.824 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.4 mtp180 -62.97 -50.55 70.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 88.3 t -69.94 -46.54 73.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.138 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.592 ' HD2' HG23 ' A' ' 58' ' ' ILE . 56.2 t80 -61.45 -34.94 76.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.875 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.55 -48.71 76.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.82 -25.61 56.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.587 ' SG ' HG21 ' A' ' 58' ' ' ILE . 6.3 t -55.8 -49.91 71.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 70.5 p -108.72 -10.46 15.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.85 -6.11 66.91 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.467 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.61 148.96 46.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.807 0.337 . . . . 0.0 111.067 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.34 162.33 42.02 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.664 0.745 . . . . 0.0 110.835 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -32.97 17.47 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.688 2.259 . . . . 0.0 112.351 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.4 t -67.43 -33.98 76.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -74.28 -47.52 34.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -60.74 -47.15 87.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 29.8 ttt180 -62.96 -37.68 88.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.833 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.15 -26.41 63.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 81.28 11.92 82.82 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.458 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 4.4 t -75.68 135.2 40.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.769 0.318 . . . . 0.0 110.867 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.848 -179.845 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.807 0.336 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -78.56 148.37 33.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.805 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -54.09 -45.44 71.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 72.5 mtm180 -61.04 -43.05 99.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.543 HG13 ' CD2' ' A' ' 41' ' ' PHE . 97.0 t -68.12 -37.82 78.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -54.4 -34.5 61.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -62.14 -38.61 89.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.416 ' HB1' ' CG1' ' A' ' 26' ' ' VAL . . . -58.97 -35.42 73.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.091 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 24.2 t -59.0 -34.02 71.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.822 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 41.4 tp60 -62.25 -45.93 91.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -69.83 -48.45 58.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 67.3 mt -61.14 -36.19 70.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.134 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.6 t -65.21 -41.81 94.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -66.82 -25.89 66.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -106.14 17.97 22.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.4 tp -58.77 -26.08 63.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -92.9 -20.98 20.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.084 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -63.25 145.35 55.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.823 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.2 p -82.08 -50.44 9.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -75.86 106.13 7.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -118.47 109.14 15.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.565 ' OD2' ' HB3' ' A' ' 24' ' ' ALA . 1.2 p-10 -116.55 132.68 56.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.85 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.3 tt -69.3 -22.78 26.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.152 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.565 ' HB3' ' OD2' ' A' ' 22' ' ' ASP . . . -58.7 -44.89 90.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.6 t -68.13 -31.34 70.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.818 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.416 ' CG1' ' HB1' ' A' ' 8' ' ' ALA . 26.2 t -69.81 -42.23 79.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.502 ' HB1' ' O ' ' A' ' 32' ' ' LEU . . . -66.82 -41.89 86.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -61.31 -37.06 81.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -57.88 -34.76 70.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.418 HG23 ' HB2' ' A' ' 32' ' ' LEU . 34.7 m -98.09 20.29 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.119 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 60.0 m 51.33 36.73 17.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.564 HD23 ' H ' ' A' ' 33' ' ' SER . 0.3 OUTLIER -136.21 164.24 28.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.963 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.564 ' H ' HD23 ' A' ' 32' ' ' LEU . 2.8 m -82.66 159.59 63.39 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.634 0.73 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -36.58 10.44 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.697 2.264 . . . . 0.0 112.329 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.4 t -66.8 -46.63 74.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.401 ' HB3' HD21 ' A' ' 32' ' ' LEU . 8.7 mmt85 -71.83 -38.63 70.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.92 -44.84 72.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.941 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.5 t -60.71 -41.22 94.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -59.41 -48.52 81.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 79.7 mt -71.42 -31.47 67.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.658 ' CD1' HG12 ' A' ' 49' ' ' VAL . 0.8 OUTLIER -57.72 -50.16 74.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.929 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -68.39 -25.29 64.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -77.97 -41.02 37.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -81.43 -39.29 25.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.663 HD21 ' CD1' ' A' ' 52' ' ' TRP . 0.2 OUTLIER -88.37 -16.93 31.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.939 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 67.96 8.06 52.13 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.465 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.533 ' CG1' HD22 ' A' ' 45' ' ' LEU . 24.7 pt -149.63 171.16 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.854 0.359 . . . . 0.0 111.136 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.31 146.44 36.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.658 HG12 ' CD1' ' A' ' 41' ' ' PHE . 27.4 m -53.93 -38.21 36.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.129 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.457 HD12 HG23 ' A' ' 49' ' ' VAL . 8.6 mp -62.7 -38.52 90.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.2 t -73.05 -42.86 62.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.663 ' CD1' HD21 ' A' ' 45' ' ' LEU . 49.9 t90 -58.63 -42.44 88.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.926 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.7 -47.18 87.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -66.12 -46.68 76.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.919 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -55.72 -44.66 77.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -69.54 -35.47 75.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.9 mtp180 -62.74 -46.17 89.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.84 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 47.6 mm -66.26 -43.95 91.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.4 t -67.75 -31.05 70.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 30.6 tp60 -68.74 -44.04 74.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.87 -43.23 85.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.087 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.7 mtpt -71.27 -33.3 69.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.942 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.4 tp -67.91 -50.05 58.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.943 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.433 HD11 HG13 ' A' ' 75' ' ' VAL . 2.3 pp -69.34 -37.47 77.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.97 HD21 HG21 ' A' ' 75' ' ' VAL . 13.3 mt -62.7 -28.73 70.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.3 t -75.44 -21.17 58.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.832 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.531 HG23 HG23 ' A' ' 68' ' ' THR . 4.6 t -110.35 0.56 18.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.103 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.531 HG23 HG23 ' A' ' 67' ' ' THR . 30.2 p -133.21 164.32 27.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.49 18.33 10.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.804 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 68.9 mtm -66.79 155.71 88.83 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.542 0.687 . . . . 0.0 110.876 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.616 ' O ' HG23 ' A' ' 75' ' ' VAL . 53.5 Cg_endo -69.77 166.39 27.78 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.679 2.252 . . . . 0.0 112.378 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.405 HG22 ' HG3' ' A' ' 84' ' ' GLN . 37.0 mt -62.7 -30.94 50.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.128 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.53 -47.19 79.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.068 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 95.7 m -70.05 -45.15 67.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.136 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.97 HG21 HD21 ' A' ' 65' ' ' LEU . 85.6 t -56.23 -40.52 65.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.116 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.494 ' O ' HG22 ' A' ' 79' ' ' VAL . . . -56.77 -44.29 91.81 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.452 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.4 mmm180 -57.71 -33.78 68.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.865 0.364 . . . . 0.0 110.865 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -61.3 -31.9 71.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.512 HG23 ' CD1' ' A' ' 81' ' ' PHE . 34.0 m -99.6 17.33 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.167 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 78.41 0.57 79.05 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.48 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.512 ' CD1' HG23 ' A' ' 79' ' ' VAL . 4.7 m-85 -83.43 117.06 22.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.875 0.369 . . . . 0.0 110.867 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -85.4 -31.48 22.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.884 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -93.11 118.49 31.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.405 ' HG3' HG22 ' A' ' 72' ' ' ILE . 40.1 tt0 -63.14 -41.21 99.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.913 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 18.5 mt -69.03 -32.61 72.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.932 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -60.03 -48.41 81.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.96 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -61.58 -46.67 88.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.4 m -65.22 -36.49 84.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 25.3 mtp85 -62.68 -51.76 65.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.917 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.7 p -71.18 -39.57 73.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -65.91 -36.04 82.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 18.1 ttpt -57.41 -48.12 79.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 33.6 mtpt -76.36 -25.55 54.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 2.2 m -59.06 -50.13 75.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 44.3 p -105.21 -10.4 17.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.63 -9.11 68.86 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.473 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.92 148.85 45.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.788 0.328 . . . . 0.0 111.151 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.09 162.74 36.41 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.672 0.748 . . . . 0.0 110.829 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -32.13 19.1 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.7 2.267 . . . . 0.0 112.335 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 48.4 t -67.41 -34.33 77.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -74.63 -47.76 30.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -58.58 -38.77 78.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.35 -37.7 86.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.67 -36.56 81.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 86.87 -9.13 73.18 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.505 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 31.5 p -54.46 137.12 43.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.799 0.333 . . . . 0.0 110.884 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.864 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 ttt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.81 0.338 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.72 148.3 22.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.855 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 26.1 t30 -64.92 -29.43 70.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -70.91 -49.78 42.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 27.5 m -69.84 -37.67 73.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.6 ttt-85 -59.09 -37.72 77.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.411 ' HB3' HG12 ' A' ' 30' ' ' VAL . 3.0 tp10 -62.22 -44.78 95.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.681 ' HB1' HG13 ' A' ' 26' ' ' VAL . . . -58.58 -35.65 72.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.131 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 94.3 m -59.6 -34.3 72.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.8 tm0? -61.32 -43.03 99.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -69.39 -44.7 70.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.973 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.6 mt -62.9 -43.72 99.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.126 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 60.2 m -58.57 -41.77 86.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -65.7 -35.54 81.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -96.73 17.92 15.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.667 HD11 ' HG3' ' A' ' 57' ' ' ARG . 14.2 tp -60.68 -27.83 68.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.942 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.66 -21.09 24.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.046 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.99 141.08 58.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.849 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.0 t -80.95 -51.06 8.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 20.1 m-20 -78.47 107.43 11.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -112.66 125.32 54.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.868 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -116.05 112.15 21.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.837 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.5 tt -55.46 -25.71 18.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.112 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.18 -42.31 94.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 65.7 m -63.01 -29.35 70.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.681 HG13 ' HB1' ' A' ' 8' ' ' ALA . 99.0 t -67.25 -50.66 61.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.157 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.772 ' HA ' HD22 ' A' ' 37' ' ' LEU . . . -67.24 -41.67 85.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.134 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -62.54 -37.13 84.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -57.99 -34.88 70.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.796 HG21 HD13 ' A' ' 37' ' ' LEU . 26.8 m -97.23 17.01 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.153 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 54.8 m 51.6 36.77 18.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.594 HD21 HH11 ' A' ' 36' ' ' ARG . 0.1 OUTLIER -137.56 164.03 29.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.899 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.36 157.74 84.4 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.675 0.75 . . . . 0.0 110.888 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.461 ' HA ' ' HB2' ' A' ' 27' ' ' ALA . 54.3 Cg_endo -69.73 -39.56 6.42 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.675 2.25 . . . . 0.0 112.35 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 72.5 m -67.65 -46.92 71.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.594 HH11 HD21 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -67.02 -41.66 86.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.906 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.796 HD13 HG21 ' A' ' 30' ' ' VAL . 11.8 tp -69.01 -44.48 72.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 86.7 p -59.97 -39.14 84.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 20.7 t60 -59.49 -49.22 78.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.8 mt -72.2 -31.95 66.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.951 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.518 ' HE2' ' HB3' ' A' ' 8' ' ' ALA . 0.7 OUTLIER -58.5 -49.92 75.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.871 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -68.25 -25.84 65.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.816 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -78.06 -40.51 38.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 -81.4 -39.44 24.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.929 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.591 HD21 ' CD1' ' A' ' 52' ' ' TRP . 0.3 OUTLIER -88.51 -16.82 31.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 67.39 9.01 53.89 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.526 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.562 HG12 HD22 ' A' ' 45' ' ' LEU . 20.2 pt -149.1 171.87 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.792 0.33 . . . . 0.0 111.149 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.3 p -77.2 149.27 35.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.2 t -54.13 -45.17 65.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.155 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.6 mp -60.71 -32.71 71.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.95 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.6 t -72.92 -45.83 55.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.591 ' CD1' HD21 ' A' ' 45' ' ' LEU . 69.7 t90 -59.08 -44.72 91.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -59.46 -47.06 86.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -65.96 -41.25 91.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -57.58 -45.68 84.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -70.16 -36.86 75.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.667 ' HG3' HD11 ' A' ' 16' ' ' LEU . 20.2 mtp180 -58.11 -46.68 85.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.627 HG21 ' SG ' ' A' ' 94' ' ' CYS . 50.1 mm -68.5 -38.42 79.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.8 p -65.21 -35.68 81.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -69.52 -39.56 77.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.475 ' O ' HD12 ' A' ' 65' ' ' LEU . . . -64.43 -46.14 84.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.12 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.591 ' HE3' HG22 ' A' ' 58' ' ' ILE . 15.4 ptpt -71.33 -33.28 69.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.403 ' C ' HD23 ' A' ' 63' ' ' LEU . 10.1 tt -67.94 -50.06 58.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.46 ' O ' HG23 ' A' ' 68' ' ' THR . 2.4 pp -69.64 -37.61 76.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.803 HD21 HG21 ' A' ' 75' ' ' VAL . 6.1 mt -57.17 -28.94 63.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.967 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.2 m -73.2 -24.65 60.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.834 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.465 HG23 HG23 ' A' ' 68' ' ' THR . 6.3 t -109.23 4.27 22.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.465 HG23 HG23 ' A' ' 67' ' ' THR . 29.5 p -133.22 162.01 32.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.146 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -122.39 18.24 10.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 56.7 mtm -68.38 153.54 95.48 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.565 0.697 . . . . 0.0 110.847 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.628 ' O ' HG23 ' A' ' 75' ' ' VAL . 54.3 Cg_endo -69.69 166.37 27.74 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.692 2.261 . . . . 0.0 112.366 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 41.8 mm -58.59 -30.96 42.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.146 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.43 -47.17 77.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.072 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.0 m -67.15 -48.46 67.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.206 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.803 HG21 HD21 ' A' ' 65' ' ' LEU . 27.8 t -56.3 -40.76 68.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.48 ' O ' HG22 ' A' ' 79' ' ' VAL . . . -56.62 -42.94 91.22 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.515 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 -57.23 -33.99 68.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.807 0.337 . . . . 0.0 110.861 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -63.53 -31.96 73.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.491 HG23 ' CD1' ' A' ' 81' ' ' PHE . 33.1 m -98.57 18.52 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.147 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 73.04 5.49 65.59 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.491 ' CD1' HG23 ' A' ' 79' ' ' VAL . 3.5 m-85 -83.24 116.93 22.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.868 0.366 . . . . 0.0 110.892 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -83.08 -31.5 27.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -95.72 119.18 33.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.919 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -62.24 -40.04 94.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 13.7 mt -68.88 -33.33 73.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -60.37 -41.55 93.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -66.66 -44.41 81.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.9 p -65.6 -37.41 86.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 16.5 mtp180 -62.97 -50.98 68.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 95.4 t -70.46 -45.7 73.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.557 ' CD2' HG23 ' A' ' 58' ' ' ILE . 34.1 t80 -61.44 -35.57 77.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.5 ttpt -56.82 -44.53 82.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -76.09 -25.68 55.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.627 ' SG ' HG21 ' A' ' 58' ' ' ILE . 36.1 t -59.43 -49.99 75.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 35.3 p -104.2 -10.95 17.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.16 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.67 -9.03 68.79 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.481 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.8 148.29 45.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.757 0.313 . . . . 0.0 111.113 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.85 162.58 35.91 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.688 0.756 . . . . 0.0 110.819 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -32.05 19.22 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.704 2.269 . . . . 0.0 112.335 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 55.1 p -67.51 -34.19 76.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -74.69 -47.7 30.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -58.53 -40.4 82.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.907 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 40.5 ttt180 -59.53 -39.13 82.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.24 -27.29 67.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.024 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 87.1 11.88 69.01 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.499 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 4.1 t -87.2 129.23 35.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.784 0.326 . . . . 0.0 110.882 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.905 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.78 0.324 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.594 ' HB3' HG23 ' A' ' 5' ' ' VAL . 1.1 t70 -78.66 148.61 33.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -53.82 -45.16 70.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -70.36 -41.08 73.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.832 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.638 HG13 ' CE2' ' A' ' 41' ' ' PHE . 96.6 t -62.65 -38.61 82.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.58 -37.71 88.37 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.893 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -62.37 -34.02 75.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.35 -35.3 77.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.074 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 33.7 t -59.13 -34.22 71.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -65.43 -45.28 84.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -69.63 -48.54 59.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.467 HG23 ' NH1' ' A' ' 53' ' ' ARG . 11.0 mt -61.26 -40.87 87.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.161 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.8 t -57.0 -43.41 81.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -67.4 -21.95 65.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -101.33 17.86 21.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.3 tt -60.04 -30.88 69.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.977 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -93.35 -21.02 19.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.097 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.96 151.1 35.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.3 m -97.9 -51.27 4.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.858 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -78.2 105.74 9.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.945 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -111.75 124.64 52.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.83 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -116.0 111.59 20.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 12.3 tt -54.94 -26.27 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.161 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.91 -42.71 98.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.088 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.9 m -63.0 -30.63 71.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 63.3 t -70.15 -37.79 72.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.049 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.598 ' HB1' ' O ' ' A' ' 32' ' ' LEU . . . -67.44 -48.72 66.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -61.73 -37.14 83.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -57.85 -34.81 70.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.643 HG21 HD13 ' A' ' 37' ' ' LEU . 32.2 m -97.46 14.43 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.156 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 41.7 m 51.54 36.47 17.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.598 ' O ' ' HB1' ' A' ' 27' ' ' ALA . 10.7 tp -141.17 158.73 43.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.1 158.63 86.95 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.706 0.765 . . . . 0.0 110.851 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -39.6 6.3 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.703 2.269 . . . . 0.0 112.353 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 40.7 t -67.77 -46.84 70.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.7 tpp180 -68.76 -40.71 79.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.643 HD13 HG21 ' A' ' 30' ' ' VAL . 23.8 tp -68.79 -44.46 73.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.6 m -59.86 -39.25 84.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -59.65 -49.1 79.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.849 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 30.2 mt -72.02 -31.58 66.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.953 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.638 ' CE2' HG13 ' A' ' 5' ' ' VAL . 0.6 OUTLIER -59.73 -50.39 74.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -68.5 -25.62 65.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 11.1 tp60 -78.16 -40.74 36.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 59.0 mm-40 -81.48 -39.45 24.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.646 HD21 ' CD1' ' A' ' 52' ' ' TRP . 0.3 OUTLIER -88.46 -17.09 31.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.0 8.18 52.78 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.455 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.578 HG12 HD22 ' A' ' 45' ' ' LEU . 21.8 pt -149.29 173.35 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.819 0.342 . . . . 0.0 111.15 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.3 m -77.37 146.92 36.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.526 HG22 ' CD1' ' A' ' 41' ' ' PHE . 29.5 t -54.02 -43.69 59.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.11 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.487 HD13 ' O ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -61.95 -33.74 74.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 29.3 m -72.95 -44.56 61.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.646 ' CD1' HD21 ' A' ' 45' ' ' LEU . 65.2 t90 -58.72 -42.04 87.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.467 ' NH1' HG23 ' A' ' 12' ' ' ILE . 4.8 ttt85 -58.19 -47.22 84.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.878 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -66.15 -39.54 89.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -66.73 -35.02 79.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -67.35 -45.31 76.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -71.12 -43.34 67.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 24.4 mm -65.24 -42.19 93.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.104 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 30.7 t -70.54 -31.85 69.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.827 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.668 HE22 HD22 ' A' ' 63' ' ' LEU . 18.6 tp60 -70.71 -38.64 73.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.933 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.59 ' HB2' ' CG1' ' A' ' 79' ' ' VAL . . . -68.13 -45.89 72.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.088 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -71.84 -32.8 67.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.668 HD22 HE22 ' A' ' 60' ' ' GLN . 5.8 tt -58.13 -50.94 71.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.937 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.523 HD12 ' OG1' ' A' ' 68' ' ' THR . 1.6 pp -70.47 -36.57 73.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.664 HD12 HG11 ' A' ' 75' ' ' VAL . 0.3 OUTLIER -55.85 -28.89 58.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.951 179.862 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.5 t -71.93 -31.98 66.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.452 HG23 HG23 ' A' ' 68' ' ' THR . 7.3 t -102.83 6.06 39.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.148 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.523 ' OG1' HD12 ' A' ' 64' ' ' LEU . 46.1 p -133.36 168.13 19.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.39 18.23 10.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 66.7 mtm -68.49 153.54 95.57 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.586 0.707 . . . . 0.0 110.862 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.618 ' O ' HG23 ' A' ' 75' ' ' VAL . 53.8 Cg_endo -69.81 166.19 28.48 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.668 2.245 . . . . 0.0 112.355 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 39.8 mt -62.19 -30.92 49.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.096 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.38 -47.22 80.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.073 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 96.7 m -65.76 -48.91 70.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.171 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.664 HG11 HD12 ' A' ' 65' ' ' LEU . 35.3 t -56.18 -40.51 65.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.469 ' O ' HG22 ' A' ' 79' ' ' VAL . . . -59.07 -40.83 96.09 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.485 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -57.05 -34.14 67.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.847 0.356 . . . . 0.0 110.886 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -62.61 -31.69 72.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.59 ' CG1' ' HB2' ' A' ' 61' ' ' ALA . 33.7 m -99.77 18.74 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 73.12 5.17 65.15 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.459 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.483 ' CD1' HG23 ' A' ' 79' ' ' VAL . 3.3 m-85 -82.59 116.88 22.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.83 0.348 . . . . 0.0 110.862 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -88.84 -31.64 18.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -93.1 119.24 32.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.895 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -61.15 -40.71 94.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.96 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 20.4 mt -66.6 -33.09 74.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.935 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -61.13 -42.59 98.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -65.59 -46.65 78.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.847 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.7 m -65.55 -37.44 86.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -62.68 -51.08 68.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 92.3 t -70.59 -45.49 74.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.149 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -61.32 -35.93 78.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 59.1 tttt -57.21 -47.99 79.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.3 mtpm? -76.16 -25.65 55.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 2.2 m -59.61 -50.01 75.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 48.7 p -104.0 -11.18 17.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.179 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.66 -9.03 68.81 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.485 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.85 148.45 45.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.787 0.327 . . . . 0.0 111.131 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.01 162.6 37.08 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.662 0.744 . . . . 0.0 110.838 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -32.03 19.47 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.718 2.279 . . . . 0.0 112.323 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.1 m -67.51 -34.17 76.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -74.62 -47.71 30.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -61.76 -45.47 93.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 62.0 ttp85 -63.99 -30.52 71.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -77.02 -35.49 56.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.055 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 86.91 11.93 69.44 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.55 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 7.1 t -70.24 126.29 29.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 0.0 110.867 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.899 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.779 0.323 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -78.8 148.26 32.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.842 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 26.3 m120 -53.96 -45.34 71.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 48.8 mtm180 -66.25 -47.48 73.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.579 HG13 ' CD2' ' A' ' 41' ' ' PHE . 77.9 t -59.82 -39.34 79.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -34.81 78.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -62.29 -47.41 84.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.877 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.516 ' HB3' ' HE2' ' A' ' 41' ' ' PHE . . . -59.34 -35.94 74.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.177 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 89.4 m -59.9 -35.73 75.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 20.7 tp60 -62.23 -40.33 95.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -69.46 -45.89 67.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 60.3 mt -63.25 -35.98 74.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.09 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.2 p -66.34 -43.36 86.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.33 -30.09 69.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -95.75 17.91 14.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.601 HD11 ' HG3' ' A' ' 57' ' ' ARG . 6.4 tp -62.23 -25.44 67.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.56 -21.01 21.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -62.66 146.09 52.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.3 t -86.21 -50.81 6.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.856 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -81.38 108.28 14.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -110.23 117.68 34.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.938 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -116.03 116.42 27.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.9 tt -58.06 -24.53 24.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.5 -45.03 92.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.058 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 81.3 p -63.8 -29.51 70.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.839 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 99.1 t -65.61 -49.18 79.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.14 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.714 ' HA ' HD22 ' A' ' 37' ' ' LEU . . . -67.39 -34.99 78.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.078 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 56.0 tp60 -64.83 -37.23 86.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.931 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -60.95 -34.76 75.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.808 HG21 HD13 ' A' ' 37' ' ' LEU . 26.9 m -93.73 13.04 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.167 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 60.2 m 51.43 38.36 21.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.605 ' HB2' HG23 ' A' ' 30' ' ' VAL . 7.3 mt -140.99 164.2 30.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.7 m -71.76 157.72 89.15 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.65 0.738 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.469 ' HA ' ' HB2' ' A' ' 27' ' ' ALA . 53.7 Cg_endo -69.79 -39.42 6.47 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.668 2.245 . . . . 0.0 112.36 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.0 m -67.6 -46.77 71.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -65.7 -42.94 90.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.851 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.808 HD13 HG21 ' A' ' 30' ' ' VAL . 14.3 tp -68.82 -44.58 73.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 30.5 t -60.16 -39.11 85.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.833 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 16.3 t60 -59.48 -49.34 78.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.816 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 73.8 mt -72.2 -32.06 66.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.579 ' CD2' HG13 ' A' ' 5' ' ' VAL . 0.7 OUTLIER -57.61 -49.84 75.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -68.1 -25.66 65.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.866 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -77.94 -40.35 39.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 70.5 mm-40 -81.46 -39.41 24.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.638 HD21 ' CD1' ' A' ' 52' ' ' TRP . 0.2 OUTLIER -88.52 -17.1 31.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 -179.916 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 67.84 8.86 54.77 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.472 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.563 HG12 HD22 ' A' ' 45' ' ' LEU . 19.9 pt -149.06 172.67 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.861 0.362 . . . . 0.0 111.113 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.5 p -77.36 147.87 35.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.406 HG22 ' CD1' ' A' ' 41' ' ' PHE . 42.5 t -53.95 -43.67 58.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.109 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.5 mp -61.71 -33.86 74.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 30.2 t -72.88 -44.85 60.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.638 ' CD1' HD21 ' A' ' 45' ' ' LEU . 48.3 t90 -58.88 -41.18 86.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 36.0 ttp180 -61.13 -47.18 87.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -65.94 -46.74 77.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.04 -37.58 85.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -66.15 -39.12 89.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.949 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.601 ' HG3' HD11 ' A' ' 16' ' ' LEU . 10.3 mtp85 -59.34 -43.0 92.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.603 HG23 ' HD2' ' A' ' 91' ' ' PHE . 49.9 mm -67.88 -44.14 85.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.158 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.1 t -67.01 -31.03 71.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.2 tp60 -71.04 -44.29 66.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.713 ' HA ' HD12 ' A' ' 64' ' ' LEU . . . -56.81 -36.34 69.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.094 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.529 ' NZ ' HG22 ' A' ' 58' ' ' ILE . 37.0 mttp -61.81 -40.3 94.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.913 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 50.9 tp -62.62 -43.18 99.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.926 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.713 HD12 ' HA ' ' A' ' 61' ' ' ALA . 1.1 mt -70.12 -44.17 69.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.417 ' HG ' HG21 ' A' ' 75' ' ' VAL . 3.1 mt -67.44 -25.46 65.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 26.8 t -90.77 -26.5 19.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.688 HG22 ' HA ' ' A' ' 64' ' ' LEU . 3.7 t -94.57 -12.89 26.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.164 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.614 HG23 HG23 ' A' ' 67' ' ' THR . 4.1 p -131.96 173.58 11.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.152 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.74 18.38 12.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 71.3 mtm -65.09 153.72 88.47 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.553 0.692 . . . . 0.0 110.887 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.69 ' O ' HG23 ' A' ' 75' ' ' VAL . 53.3 Cg_endo -69.8 163.69 37.37 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.677 2.252 . . . . 0.0 112.306 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.448 HG22 ' HG3' ' A' ' 84' ' ' GLN . 47.8 mt -58.69 -30.94 43.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.17 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.35 -47.23 80.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.087 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 93.0 m -71.48 -40.5 70.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.132 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.69 HG23 ' O ' ' A' ' 71' ' ' PRO . 94.7 t -56.12 -40.68 65.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.118 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.472 ' O ' HG22 ' A' ' 79' ' ' VAL . . . -56.86 -40.16 89.49 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.485 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 64.2 mtt180 -58.67 -34.35 71.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -61.56 -31.88 71.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.531 HG11 ' HB2' ' A' ' 61' ' ' ALA . 33.4 m -99.35 17.32 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.144 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 73.82 4.83 67.7 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.485 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.48 ' CD1' HG23 ' A' ' 79' ' ' VAL . 3.5 m-85 -82.83 117.05 22.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.862 0.363 . . . . 0.0 110.889 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -82.62 -31.51 28.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -96.65 119.13 34.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.914 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.448 ' HG3' HG22 ' A' ' 72' ' ' ILE . 8.3 tt0 -62.41 -40.77 97.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.901 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 80.2 mt -66.38 -32.92 74.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -63.26 -42.6 99.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -66.69 -48.04 70.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 65.1 p -65.47 -37.31 86.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 36.0 mmm-85 -63.16 -51.04 68.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 85.9 t -70.57 -46.06 71.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.091 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.603 ' HD2' HG23 ' A' ' 58' ' ' ILE . 44.6 t80 -61.24 -35.84 78.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.21 -30.81 64.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.95 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -76.64 -25.41 53.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.401 ' SG ' HG21 ' A' ' 58' ' ' ILE . 43.3 t -63.55 -50.53 69.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.857 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 27.5 p -99.55 -12.62 19.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.27 -9.84 69.61 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.48 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -138.45 152.64 48.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 0.0 111.094 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.9 163.57 21.87 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.649 0.738 . . . . 0.0 110.854 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -27.01 27.35 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.689 2.26 . . . . 0.0 112.389 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.1 p -67.48 -33.65 75.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.17 -47.99 32.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.891 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -59.59 -42.04 91.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 33.0 ttp85 -58.17 -33.67 69.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -67.16 -31.23 71.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.073 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 82.39 11.99 81.21 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.487 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 4.6 t -69.25 130.24 42.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.754 0.311 . . . . 0.0 110.864 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.927 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.763 0.316 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -78.65 148.43 33.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -53.89 -39.38 65.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.03 -47.0 66.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.615 HG13 ' CE2' ' A' ' 41' ' ' PHE . 88.5 t -63.04 -38.8 83.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.23 -39.79 87.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -63.21 -37.62 87.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.566 ' HB1' HG13 ' A' ' 26' ' ' VAL . . . -58.7 -36.26 73.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.079 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 69.3 m -60.01 -34.27 73.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -60.93 -42.24 97.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -69.41 -44.67 70.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.3 mt -61.41 -37.38 77.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.118 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.7 p -63.36 -36.84 85.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.82 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -67.95 -18.61 64.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -110.92 17.99 19.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.605 HD13 ' O ' ' A' ' 16' ' ' LEU . 0.8 OUTLIER -52.79 -39.14 62.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.33 -20.94 43.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -62.11 154.34 27.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.1 m -101.1 -50.29 3.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -83.8 108.13 16.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.464 ' CZ ' HG21 ' A' ' 26' ' ' VAL . 14.1 t80 -90.46 134.61 34.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -116.0 103.38 10.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.7 tp -61.79 -26.39 39.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.13 -44.85 96.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.9 m -64.92 -29.49 70.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.839 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.566 HG13 ' HB1' ' A' ' 8' ' ' ALA . 62.6 t -66.18 -51.88 54.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.139 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.65 ' HA ' HD13 ' A' ' 37' ' ' LEU . . . -67.73 -44.55 77.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.109 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -61.24 -36.04 78.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -56.72 -34.73 67.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.419 HG23 ' HB2' ' A' ' 32' ' ' LEU . 32.8 m -98.94 22.01 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 54.6 m 51.62 36.58 17.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.529 HD23 ' H ' ' A' ' 33' ' ' SER . 0.4 OUTLIER -135.17 164.24 28.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.918 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.529 ' H ' HD23 ' A' ' 32' ' ' LEU . 4.4 m -79.68 157.87 73.96 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.655 0.74 . . . . 0.0 110.859 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.481 ' HA ' ' HB2' ' A' ' 27' ' ' ALA . 53.7 Cg_endo -69.78 -38.56 7.6 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.702 2.268 . . . . 0.0 112.309 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.2 t -66.88 -46.9 73.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.406 ' HB3' HD21 ' A' ' 32' ' ' LEU . 19.3 mmt180 -70.33 -39.11 74.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.65 HD13 ' HA ' ' A' ' 27' ' ' ALA . 0.3 OUTLIER -69.41 -44.46 71.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.2 t -59.84 -39.95 86.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.887 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -59.5 -48.91 79.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.821 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 77.8 mt -71.94 -31.74 66.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.615 ' CE2' HG13 ' A' ' 5' ' ' VAL . 0.6 OUTLIER -59.2 -50.32 74.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 24.0 ttp180 -68.38 -25.73 65.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -78.03 -40.55 38.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -81.42 -39.48 24.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.651 HD21 ' CD1' ' A' ' 52' ' ' TRP . 0.3 OUTLIER -88.39 -17.01 31.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.96 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.02 8.12 52.67 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.52 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.568 HG12 HD22 ' A' ' 45' ' ' LEU . 19.8 pt -149.13 172.73 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.804 0.335 . . . . 0.0 111.114 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.1 t -77.37 149.38 35.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.1 t -54.46 -44.8 69.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.128 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 75.9 mt -61.72 -32.22 72.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 47.3 t -72.76 -45.8 56.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.651 ' CD1' HD21 ' A' ' 45' ' ' LEU . 57.3 t90 -59.12 -40.54 85.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.8 ttt85 -60.69 -46.39 90.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -65.74 -46.7 77.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.84 -37.61 87.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -67.65 -34.61 77.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.3 mtp85 -57.52 -46.73 83.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.833 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.43 HG23 ' HD2' ' A' ' 91' ' ' PHE . 2.0 mp -70.94 -44.97 75.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.175 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.2 t -56.36 -38.35 71.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.0 tp60 -71.79 -43.09 66.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.93 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.687 ' HB2' HG11 ' A' ' 79' ' ' VAL . . . -61.5 -35.45 77.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -66.31 -33.02 74.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.8 tt -64.54 -52.41 57.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.956 HD11 HG13 ' A' ' 75' ' ' VAL . 2.2 pp -72.04 -37.47 69.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.886 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.789 HD12 HG21 ' A' ' 75' ' ' VAL . 0.6 OUTLIER -64.96 -28.9 69.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.8 t -75.94 -21.86 56.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.537 HG23 HG23 ' A' ' 68' ' ' THR . 5.2 t -108.99 0.22 19.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.153 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.537 HG23 HG23 ' A' ' 67' ' ' THR . 33.3 p -131.67 146.39 52.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -104.67 18.32 22.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 47.9 mtm -63.5 158.56 57.73 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.539 0.685 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 152.43 69.41 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.669 2.246 . . . . 0.0 112.361 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 66.1 mt -51.74 -30.96 12.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.34 -47.01 80.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.057 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 86.0 m -67.32 -50.24 60.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.176 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.956 HG13 HD11 ' A' ' 64' ' ' LEU . 33.6 t -60.44 -41.01 85.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.86 -32.41 62.11 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.509 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -70.52 -32.12 69.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.822 0.344 . . . . 0.0 110.87 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -59.36 -31.16 68.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.687 HG11 ' HB2' ' A' ' 61' ' ' ALA . 11.9 m -94.29 1.0 10.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.87 0.14 66.61 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.431 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -90.25 117.0 28.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.862 0.363 . . . . 0.0 110.892 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -86.6 -31.45 21.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.843 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -86.3 118.98 26.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -62.45 -38.35 89.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -68.89 -34.73 75.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -60.16 -47.92 83.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -63.37 -42.33 98.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.869 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.8 p -65.4 -37.7 87.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 62.8 mtm180 -62.94 -50.61 70.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.832 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 88.9 t -70.29 -45.89 73.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.154 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.43 ' HD2' HG23 ' A' ' 58' ' ' ILE . 42.2 t80 -61.37 -36.09 79.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.31 -48.26 79.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 50.4 mttm -76.26 -25.66 55.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 4.5 m -59.37 -50.02 75.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 68.3 p -104.33 -10.97 17.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.148 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.69 -9.07 68.72 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.506 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.84 148.24 45.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.777 0.322 . . . . 0.0 111.105 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.97 162.56 37.11 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.675 0.75 . . . . 0.0 110.875 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -31.82 19.87 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.729 2.286 . . . . 0.0 112.336 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.5 m -67.53 -34.21 76.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -74.7 -47.71 30.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -59.84 -42.41 93.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 30.1 ttt180 -68.31 -33.07 73.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -77.19 -25.2 51.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 83.67 11.98 78.63 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.532 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 43.5 t -75.22 132.24 40.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.758 0.313 . . . . 0.0 110.919 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.84 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.775 0.321 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.507 ' OD2' HG23 ' A' ' 5' ' ' VAL . 6.6 p-10 -78.71 149.16 32.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -53.48 -27.29 24.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.3 mtp180 -68.4 -50.21 54.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.614 HG13 ' CE2' ' A' ' 41' ' ' PHE . 67.8 t -70.2 -38.57 75.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -54.78 -42.09 71.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.941 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -62.93 -47.14 84.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.464 ' HB1' HG13 ' A' ' 26' ' ' VAL . . . -58.64 -35.71 72.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.092 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 23.3 m -59.6 -36.8 76.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -64.72 -36.86 85.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -67.86 -41.4 82.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.7 mt -61.2 -36.64 74.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.116 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.4 t -57.65 -34.49 69.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -67.26 -34.54 77.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.917 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 -93.7 17.88 11.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.664 HD11 ' HG3' ' A' ' 57' ' ' ARG . 5.1 tp -60.7 -31.37 70.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -93.95 -20.98 19.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.103 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -63.59 144.53 56.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.1 m -86.4 -51.3 6.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.825 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 66.1 m-80 -87.16 100.72 12.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.54 ' HZ ' HG21 ' A' ' 26' ' ' VAL . 41.0 t80 -88.06 136.49 32.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.07 95.25 5.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.1 tp -57.02 -23.74 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.159 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.68 -45.0 95.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.098 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.6 m -63.77 -29.37 70.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.543 HG12 HD21 ' A' ' 37' ' ' LEU . 76.5 t -65.66 -49.28 78.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.152 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.82 ' HA ' HD22 ' A' ' 37' ' ' LEU . . . -67.86 -41.9 82.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.072 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 51.4 tp60 -62.05 -37.16 83.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -57.93 -34.88 70.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.843 HG21 HD13 ' A' ' 37' ' ' LEU . 26.9 m -97.55 19.07 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.095 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 57.5 m 51.44 36.8 17.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.513 ' O ' ' HB1' ' A' ' 27' ' ' ALA . 18.3 tp -136.41 164.18 28.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.9 m -78.18 159.3 75.74 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.65 0.738 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.434 ' HA ' ' HB2' ' A' ' 27' ' ' ALA . 53.8 Cg_endo -69.79 -39.13 6.81 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.68 2.254 . . . . 0.0 112.359 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 63.1 m -67.37 -46.62 72.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 -68.53 -40.99 80.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.847 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.843 HD13 HG21 ' A' ' 30' ' ' VAL . 8.3 tp -68.87 -44.34 73.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 86.6 p -59.91 -40.4 88.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.828 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 16.9 t60 -59.55 -48.76 80.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.831 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 72.7 mt -71.68 -31.5 66.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.614 ' CE2' HG13 ' A' ' 5' ' ' VAL . 0.6 OUTLIER -59.12 -50.51 73.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -68.64 -25.48 64.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -77.92 -40.99 37.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.933 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -81.54 -39.39 24.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.631 HD21 ' CD1' ' A' ' 52' ' ' TRP . 0.3 OUTLIER -88.3 -16.95 31.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 67.7 8.05 50.73 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.514 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.561 HG12 HD22 ' A' ' 45' ' ' LEU . 24.1 pt -149.66 173.48 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.83 0.347 . . . . 0.0 111.148 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.3 p -77.52 147.03 36.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.577 HG22 ' CD1' ' A' ' 41' ' ' PHE . 28.9 t -53.99 -44.04 60.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.126 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.574 HD23 HH22 ' A' ' 53' ' ' ARG . 1.6 mt -62.11 -34.25 75.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.8 t -72.86 -43.54 62.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.631 ' CD1' HD21 ' A' ' 45' ' ' LEU . 44.8 t90 -58.62 -40.35 83.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.574 HH22 HD23 ' A' ' 50' ' ' LEU . 9.6 ttm105 -61.01 -46.98 88.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 58.4 tt0 -65.89 -45.68 81.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.842 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -61.81 -39.78 92.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -68.34 -35.21 77.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.945 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.664 ' HG3' HD11 ' A' ' 16' ' ' LEU . 85.3 mtt180 -58.68 -44.98 90.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 37.7 mm -64.32 -39.88 87.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.8 t -56.81 -43.19 80.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 29.0 tp60 -71.17 -38.29 72.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.93 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.05 -46.12 89.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.084 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -71.23 -33.25 69.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.403 HD13 ' O ' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -67.92 -50.13 57.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.92 179.887 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.416 HD11 HG13 ' A' ' 75' ' ' VAL . 2.5 pp -70.0 -37.66 75.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.885 HD21 HG21 ' A' ' 75' ' ' VAL . 11.0 mt -56.22 -29.03 60.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.5 m -73.26 -32.08 64.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.419 HG23 HG23 ' A' ' 68' ' ' THR . 8.2 t -101.52 6.86 42.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.15 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.419 HG23 HG23 ' A' ' 67' ' ' THR . 60.9 p -133.27 160.22 37.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.175 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.46 18.44 10.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.843 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 50.2 mtm -70.39 156.3 92.1 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.555 0.693 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 164.13 35.71 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.706 2.271 . . . . 0.0 112.343 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.434 HG22 ' HG3' ' A' ' 84' ' ' GLN . 63.7 mt -59.5 -30.89 45.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.105 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.47 -47.18 76.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.067 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 89.8 m -66.88 -50.14 63.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.885 HG21 HD21 ' A' ' 65' ' ' LEU . 64.7 t -56.32 -40.6 67.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.131 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.37 -32.53 60.76 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.487 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -70.82 -32.69 69.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.856 0.36 . . . . 0.0 110.911 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -60.23 -31.52 70.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 15.5 m -92.76 1.16 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.153 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 91.44 0.87 72.47 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.449 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -91.74 116.96 29.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.87 0.367 . . . . 0.0 110.905 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -82.42 -31.36 29.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.834 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -85.81 118.92 25.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.434 ' HG3' HG22 ' A' ' 72' ' ' ILE . 6.6 tt0 -62.59 -37.28 85.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 60.2 mt -68.12 -33.0 73.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -60.02 -47.68 84.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -66.25 -37.42 85.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 71.9 m -65.59 -37.26 86.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 62.6 mtp180 -63.99 -50.56 68.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 65.8 t -70.26 -42.99 78.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -64.39 -36.28 83.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 42.3 tttp -58.13 -47.34 83.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 11.3 pttt -75.52 -24.99 56.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 49.2 t -55.78 -49.91 71.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.847 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 23.4 p -110.05 -9.19 14.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 96.06 -6.51 66.6 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.516 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.75 147.64 44.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.815 0.341 . . . . 0.0 111.118 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.11 162.25 41.03 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.678 0.752 . . . . 0.0 110.857 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -31.82 19.83 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.651 2.234 . . . . 0.0 112.293 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.8 p -67.42 -34.31 76.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -74.72 -47.59 30.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.867 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -58.53 -37.86 76.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -41.18 91.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.869 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -74.88 -27.57 60.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.093 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 86.13 11.95 71.81 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.674 -0.775 . . . . 0.0 112.498 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 8.3 t -83.37 133.59 34.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.725 0.298 . . . . 0.0 110.882 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.886 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.767 0.318 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.469 ' HB3' HG23 ' A' ' 5' ' ' VAL . 2.9 t0 -78.79 148.58 32.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 70.5 m-20 -53.77 -44.4 70.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 22.6 mtm180 -70.81 -41.13 71.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.601 HG13 ' CE2' ' A' ' 41' ' ' PHE . 96.2 t -63.01 -39.09 83.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.157 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -38.43 77.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.72 -38.51 90.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.51 -35.44 72.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.07 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 21.4 t -59.42 -34.25 72.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.885 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 28.3 mm100 -65.42 -43.35 90.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.411 ' HD2' HG22 ' A' ' 26' ' ' VAL . 71.5 t80 -69.57 -48.63 59.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.946 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 66.1 mt -62.27 -41.85 93.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.149 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.5 t -62.93 -41.48 99.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.61 -30.22 70.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.903 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -99.08 17.83 18.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.646 HD12 ' HE ' ' A' ' 53' ' ' ARG . 29.0 tp -57.59 -25.2 59.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.939 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.04 -21.0 47.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.077 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -69.5 152.6 44.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 45.3 t -96.06 -51.11 4.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -82.37 108.89 16.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -82.0 134.07 35.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -115.99 95.08 4.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.859 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.6 tt -61.95 -25.78 38.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.15 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.39 -42.93 87.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.077 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 50.1 m -66.92 -29.95 69.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.411 HG22 ' HD2' ' A' ' 11' ' ' TYR . 84.3 t -68.73 -47.54 75.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.156 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.522 ' HB1' ' O ' ' A' ' 32' ' ' LEU . . . -65.41 -40.64 93.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 51.1 tp60 -62.12 -37.22 84.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.921 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -58.02 -34.82 70.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 34.4 m -97.43 18.92 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 2.3 t 51.49 36.71 17.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.522 ' O ' ' HB1' ' A' ' 27' ' ' ALA . 17.3 tp -136.42 164.1 28.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.949 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.1 m -81.46 159.87 66.1 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.651 0.739 . . . . 0.0 110.858 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -35.66 12.11 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.642 2.228 . . . . 0.0 112.296 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.6 p -67.33 -46.36 73.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.4 tpp85 -71.77 -38.39 70.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.856 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.49 -45.1 69.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 91.3 p -60.6 -41.46 94.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.828 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -59.46 -48.2 82.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 78.9 mt -71.38 -31.29 67.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.601 ' CE2' HG13 ' A' ' 5' ' ' VAL . 0.8 OUTLIER -59.82 -49.77 76.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.892 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.56 -26.26 65.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -78.23 -39.92 38.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -81.31 -39.64 24.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.957 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.651 HD21 ' CD1' ' A' ' 52' ' ' TRP . 0.2 OUTLIER -88.77 -16.33 32.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 67.27 9.21 53.99 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.45 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.536 ' CG1' HD22 ' A' ' 45' ' ' LEU . 23.3 pt -149.56 170.76 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.835 0.35 . . . . 0.0 111.132 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.6 m -77.07 147.65 36.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.503 HG12 ' CD1' ' A' ' 41' ' ' PHE . 16.0 m -53.8 -41.21 47.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.173 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 56.1 mt -62.22 -35.69 79.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.0 t -73.03 -44.15 61.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.651 ' CD1' HD21 ' A' ' 45' ' ' LEU . 60.1 t90 -58.92 -43.58 91.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.646 ' HE ' HD12 ' A' ' 16' ' ' LEU . 4.6 tpt180 -61.29 -45.74 93.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -66.15 -43.32 87.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.07 -45.59 90.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -70.05 -34.84 73.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 56.0 mtt180 -57.81 -42.84 85.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.611 HG21 ' SG ' ' A' ' 94' ' ' CYS . 44.3 mm -72.28 -45.44 61.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.178 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.2 t -60.27 -39.21 86.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.455 ' O ' HD12 ' A' ' 64' ' ' LEU . 5.7 tp60 -71.91 -44.28 63.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.786 ' HB2' HG11 ' A' ' 79' ' ' VAL . . . -62.3 -46.41 88.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.095 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -67.93 -33.14 74.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.1 tt -61.44 -49.77 75.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.919 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.706 ' HA ' HG22 ' A' ' 67' ' ' THR . 1.1 mt -70.11 -40.47 74.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.629 ' HG ' HG11 ' A' ' 75' ' ' VAL . 2.7 mt -63.47 -25.06 68.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.953 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 35.1 t -90.66 -27.53 18.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.886 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.706 HG22 ' HA ' ' A' ' 64' ' ' LEU . 2.3 t -94.45 -6.92 42.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.134 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.503 HG23 HG23 ' A' ' 67' ' ' THR . 10.8 p -133.27 173.66 11.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 25.6 mmm-85 -119.09 18.32 13.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.827 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 71.9 mtm -66.59 157.0 84.7 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.576 0.703 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.47 ' O ' HG23 ' A' ' 75' ' ' VAL . 54.0 Cg_endo -69.8 161.83 44.43 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.66 2.24 . . . . 0.0 112.341 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 50.3 mm -63.13 -30.9 50.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.177 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.19 -47.19 77.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.5 m -65.4 -50.21 66.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.17 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.629 HG11 ' HG ' ' A' ' 65' ' ' LEU . 45.5 t -59.86 -40.72 83.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.5 -32.64 61.25 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.495 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 65.0 mtt180 -71.49 -32.58 68.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.844 0.354 . . . . 0.0 110.847 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -59.94 -31.8 70.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.786 HG11 ' HB2' ' A' ' 61' ' ' ALA . 15.7 m -91.78 0.52 9.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.116 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.71 0.72 66.43 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -91.8 117.16 29.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.853 0.359 . . . . 0.0 110.868 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -86.14 -31.5 21.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -90.81 118.58 30.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.8 -34.19 76.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.947 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.467 HD13 ' NH2' ' A' ' 89' ' ' ARG . 19.5 mt -68.96 -35.66 77.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -64.69 -48.48 74.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -66.61 -44.99 80.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.877 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.5 m -65.39 -37.48 87.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.467 ' NH2' HD13 ' A' ' 85' ' ' LEU . 26.3 mtt180 -62.97 -50.54 70.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 93.5 t -70.23 -45.99 73.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.114 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.508 ' CD2' HG23 ' A' ' 58' ' ' ILE . 50.8 t80 -61.47 -36.16 79.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.51 -41.95 81.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 33.1 mttm -75.77 -25.54 56.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.611 ' SG ' HG21 ' A' ' 58' ' ' ILE . 11.5 t -55.92 -49.9 72.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 30.8 p -108.98 -9.33 15.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.18 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.99 -7.26 67.22 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.465 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.62 147.65 45.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.803 0.335 . . . . 0.0 111.082 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.1 162.32 40.23 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.707 0.765 . . . . 0.0 110.856 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -31.67 20.12 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.654 2.236 . . . . 0.0 112.365 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 27.3 t -67.46 -34.32 76.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -74.74 -47.61 30.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -59.91 -46.29 89.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 18.7 tpt180 -59.22 -40.49 85.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.841 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.36 -30.88 71.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 91.29 -9.07 78.41 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.505 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 37.7 t -55.57 120.5 7.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.726 0.298 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 18.6 pm0 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.91 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.768 0.318 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.43 ' HB3' HG23 ' A' ' 5' ' ' VAL . 3.9 t0 -78.62 148.65 33.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.874 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -53.68 -43.66 69.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.07 -40.17 92.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.707 HG13 ' CD2' ' A' ' 41' ' ' PHE . 40.3 t -68.95 -38.48 78.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.165 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.5 -34.76 77.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.903 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -62.12 -37.9 86.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.408 ' HB1' HG13 ' A' ' 26' ' ' VAL . . . -58.77 -35.84 73.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.11 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 32.5 t -59.7 -34.19 72.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -63.22 -44.2 95.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -69.45 -48.49 60.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.939 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 53.0 mt -61.25 -42.02 91.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.086 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 85.9 p -57.3 -37.53 72.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -67.32 -27.05 66.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -103.7 17.98 22.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.4 tt -56.6 -27.92 59.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -93.92 -20.96 19.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -68.78 149.11 49.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.4 t -93.4 -51.41 4.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -72.23 105.63 4.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -110.15 127.23 54.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -115.96 108.41 16.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.0 tp -54.93 -26.11 16.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.162 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.98 -44.86 91.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.15 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 71.9 m -63.41 -29.35 70.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.449 HG12 HD21 ' A' ' 37' ' ' LEU . 69.9 t -66.37 -50.24 69.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.124 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.79 ' HA ' HD22 ' A' ' 37' ' ' LEU . . . -67.69 -35.26 78.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -63.59 -37.16 86.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -57.98 -34.91 70.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.866 HG21 HD13 ' A' ' 37' ' ' LEU . 32.7 m -95.82 15.04 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.161 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 64.4 m 51.32 36.82 17.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.572 ' O ' ' HB1' ' A' ' 27' ' ' ALA . 1.5 tp -138.96 164.0 30.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.0 p -72.53 157.24 89.34 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.625 0.726 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.522 ' HA ' ' HB2' ' A' ' 27' ' ' ALA . 53.9 Cg_endo -69.75 -36.57 10.58 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.69 2.26 . . . . 0.0 112.354 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.3 p -65.75 -46.91 77.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.818 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.7 mmt85 -67.67 -44.89 76.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.866 HD13 HG21 ' A' ' 30' ' ' VAL . 11.5 tp -65.02 -45.16 86.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.951 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 39.1 m -60.16 -38.8 84.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 17.3 t60 -59.38 -49.45 77.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.3 mt -72.77 -31.41 64.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.707 ' CD2' HG13 ' A' ' 5' ' ' VAL . 1.0 OUTLIER -59.64 -50.7 72.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 55.2 ttt-85 -67.22 -26.32 66.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.5 tp-100 -78.69 -38.13 39.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -81.78 -40.56 22.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.538 HD21 ' CD1' ' A' ' 52' ' ' TRP . 0.1 OUTLIER -89.26 -15.04 34.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.06 10.13 50.43 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.507 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 22.1 pt -148.19 170.34 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.842 0.353 . . . . 0.0 111.108 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.2 t -77.34 149.61 35.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 27.5 t -54.63 -45.5 72.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.075 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.5 mp -62.3 -30.16 70.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.85 -46.75 51.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.538 ' CD1' HD21 ' A' ' 45' ' ' LEU . 60.8 t90 -59.17 -40.46 85.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.947 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.21 -47.27 83.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -66.13 -44.13 85.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -62.96 -37.65 87.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -68.32 -37.48 80.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.2 mtp180 -61.43 -42.51 98.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 48.8 mm -69.47 -45.35 78.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.8 t -66.34 -31.08 71.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -69.04 -43.8 73.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.583 ' HB2' HG11 ' A' ' 79' ' ' VAL . . . -60.27 -45.54 92.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.099 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 32.3 mtpt -71.29 -33.1 69.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.1 tp -67.88 -50.09 58.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.487 HD11 HG13 ' A' ' 75' ' ' VAL . 2.4 pp -69.79 -37.51 76.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.969 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.76 HD21 HG21 ' A' ' 75' ' ' VAL . 10.6 mt -59.61 -28.79 67.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.7 m -72.3 -26.1 61.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.813 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.441 HG23 HG23 ' A' ' 68' ' ' THR . 7.3 t -109.6 5.64 23.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.161 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.441 HG23 HG23 ' A' ' 67' ' ' THR . 69.8 p -133.18 159.1 41.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.183 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.48 18.41 10.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 48.2 mtm -68.31 157.47 87.54 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.565 0.698 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 165.12 32.05 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.7 2.266 . . . . 0.0 112.347 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 56.9 mt -60.22 -30.89 46.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.162 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.72 -47.04 79.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.059 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 23.6 m -68.93 -50.26 50.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.103 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.76 HG21 HD21 ' A' ' 65' ' ' LEU . 90.7 t -56.72 -40.9 73.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.125 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.529 ' O ' HG22 ' A' ' 79' ' ' VAL . . . -56.77 -32.51 61.94 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.48 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.9 tpp85 -71.53 -32.49 68.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.851 0.358 . . . . 0.0 110.87 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -60.19 -32.28 70.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.915 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.583 HG11 ' HB2' ' A' ' 61' ' ' ALA . 26.8 m -89.26 -1.67 9.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.106 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.1 25.63 16.4 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.441 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -123.8 116.68 23.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.854 0.359 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -82.49 -31.39 29.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -84.75 119.07 24.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.55 -40.59 97.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 34.6 mt -67.8 -33.26 74.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -62.1 -48.53 79.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -66.76 -42.66 85.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.3 p -65.44 -36.71 84.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 20.3 mtp85 -64.25 -50.91 66.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.865 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.416 HG13 ' N ' ' A' ' 91' ' ' PHE . 7.1 p -70.39 -40.83 78.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.149 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.416 ' N ' HG13 ' A' ' 90' ' ' VAL . 50.7 t80 -66.22 -36.43 83.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 57.7 tttt -57.88 -48.35 80.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.874 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -76.18 -25.66 55.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.894 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.7 m -57.75 -50.01 74.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 72.7 p -106.78 -9.74 16.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.8 -9.05 68.45 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.507 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.9 149.33 46.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.819 0.342 . . . . 0.0 111.08 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.07 162.4 39.38 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.612 0.72 . . . . 0.0 110.9 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -32.26 19.1 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.672 2.248 . . . . 0.0 112.371 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.7 t -67.49 -34.14 76.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -74.61 -47.7 30.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -61.6 -45.34 94.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 24.9 ptt180 -68.06 -32.43 72.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.822 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.97 -36.17 80.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.061 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 86.78 -9.15 72.8 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.5 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 31.3 p -70.52 138.19 50.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.783 0.325 . . . . 0.0 110.878 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -179.934 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 ttt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.805 0.336 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -103.02 148.39 25.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.842 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -64.96 -29.34 70.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 85.3 mmt-85 -70.77 -49.68 44.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 30.0 m -69.47 -37.88 75.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.12 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 25.2 ttt-85 -54.95 -45.63 74.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -65.96 -41.61 91.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.528 ' HB1' ' CG1' ' A' ' 26' ' ' VAL . . . -58.77 -36.46 74.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.09 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 71.6 m -60.34 -35.61 76.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -64.51 -42.96 95.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -69.2 -48.34 62.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 78.1 mt -61.57 -44.73 99.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.116 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.8 t -57.55 -36.6 71.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.825 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -67.35 -24.18 65.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -93.69 17.98 10.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 tt -57.81 -38.26 75.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.948 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.76 -21.06 25.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.121 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -79.71 154.53 28.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.4 t -99.56 -41.29 7.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -60.79 102.94 0.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -118.23 110.46 17.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -116.05 105.32 12.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.836 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 7.3 tt -54.99 -27.38 19.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.114 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.73 -42.37 95.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.145 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.9 m -63.22 -33.26 75.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.528 ' CG1' ' HB1' ' A' ' 8' ' ' ALA . 60.2 t -70.03 -37.88 73.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.564 ' HB1' ' O ' ' A' ' 32' ' ' LEU . . . -67.11 -48.72 67.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.06 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -61.56 -37.38 83.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -58.2 -34.8 70.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.803 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.755 HG21 HD13 ' A' ' 37' ' ' LEU . 34.6 m -97.64 16.85 2.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.12 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 84.8 m 51.63 38.4 22.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.564 ' O ' ' HB1' ' A' ' 27' ' ' ALA . 0.1 OUTLIER -140.75 162.93 34.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.1 m -81.79 160.43 63.89 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.691 0.758 . . . . 0.0 110.874 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -38.55 7.7 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.689 2.26 . . . . 0.0 112.347 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 74.3 m -64.41 -46.75 81.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.834 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 24.4 tpt180 -72.4 -44.88 61.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.755 HD13 HG21 ' A' ' 30' ' ' VAL . 13.0 tp -61.58 -44.4 97.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 95.7 p -60.09 -39.06 84.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -59.74 -48.66 80.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.844 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 68.4 mt -71.22 -31.88 68.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.83 -52.18 46.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.41 -27.21 64.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.904 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 11.3 tp-100 -78.02 -41.53 35.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.931 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -80.43 -39.07 28.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.42 ' N ' HD23 ' A' ' 45' ' ' LEU . 3.9 mt -88.71 -16.37 32.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.04 10.81 53.12 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.465 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 28.5 pt -149.67 167.14 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.841 0.353 . . . . 0.0 111.134 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 t -77.45 158.96 29.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 15.8 m -54.02 -41.25 49.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.172 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.7 tp -62.41 -33.71 75.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.8 m -72.91 -48.11 39.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 76.9 t90 -65.57 -44.49 86.56 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.942 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -58.22 -47.58 83.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -66.17 -38.47 88.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -54.48 -36.27 63.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -70.36 -33.9 71.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 38.5 mtm180 -61.29 -47.18 87.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.56 HG21 ' SG ' ' A' ' 94' ' ' CYS . 50.4 mm -73.71 -43.15 54.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.106 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.7 t -62.01 -37.53 85.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 34.9 tp60 -71.41 -44.56 64.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.965 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.728 ' HB2' HG11 ' A' ' 79' ' ' VAL . . . -66.71 -45.71 77.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.079 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.2 ptmt -67.63 -32.84 73.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.8 tt -64.22 -52.26 59.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.694 HD11 HG13 ' A' ' 75' ' ' VAL . 2.3 pp -71.99 -37.63 69.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.917 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.7 tt -60.69 -29.0 69.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.1 t -75.0 -26.43 59.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.433 HG23 HG23 ' A' ' 68' ' ' THR . 8.9 t -106.97 7.01 29.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.166 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.461 HG23 ' O ' ' A' ' 64' ' ' LEU . 52.6 p -133.28 151.5 51.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.157 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 52.2 ttt-85 -109.76 18.42 20.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 27.3 mtm -68.24 158.49 84.25 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.596 0.713 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.609 ' O ' HG23 ' A' ' 75' ' ' VAL . 53.1 Cg_endo -69.83 152.99 69.12 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.7 2.267 . . . . 0.0 112.301 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 44.6 mm -55.87 -30.9 28.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.12 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.83 -47.24 72.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.088 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.4 m -70.81 -42.77 69.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.694 HG13 HD11 ' A' ' 64' ' ' LEU . 83.3 t -56.12 -40.28 63.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.117 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.67 -39.64 91.46 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.485 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 62.8 mtp180 -56.58 -32.84 65.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.82 0.343 . . . . 0.0 110.902 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -66.22 -21.87 66.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.728 HG11 ' HB2' ' A' ' 61' ' ' ALA . 2.6 m -112.3 14.14 8.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.154 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 79.32 -0.09 81.49 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.501 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 23.4 m-30 -86.5 116.87 24.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.918 0.39 . . . . 0.0 110.868 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -92.03 -31.47 15.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.847 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -89.55 118.54 29.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -62.92 -36.64 84.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.949 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 37.6 mt -68.0 -33.12 74.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.937 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -63.87 -48.54 76.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -66.71 -43.93 82.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.855 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 60.4 p -65.38 -38.59 90.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.1 mtp85 -61.87 -50.61 71.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.869 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 98.2 t -70.4 -45.2 75.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -61.48 -36.53 80.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.7 ttpt -57.7 -48.37 79.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 54.7 mttt -76.16 -25.51 55.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.56 ' SG ' HG21 ' A' ' 58' ' ' ILE . 1.8 t -57.33 -50.02 74.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.865 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 80.5 p -107.5 -9.77 15.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.173 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.89 -8.06 67.83 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.77 148.25 45.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.785 0.326 . . . . 0.0 111.127 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.99 162.47 38.1 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.676 0.75 . . . . 0.0 110.868 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -32.18 19.1 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.713 2.276 . . . . 0.0 112.35 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.1 t -67.56 -34.08 76.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -74.61 -47.72 30.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -59.46 -46.62 88.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -67.77 -30.71 70.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.838 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.88 -28.89 70.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.077 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 92.67 -9.16 76.17 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.439 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 3.5 t -84.07 137.56 33.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.822 0.344 . . . . 0.0 110.865 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 -179.882 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 ttt . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.746 0.307 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -78.93 147.69 32.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -60.82 -45.11 95.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 23.6 mmt85 -59.33 -48.77 80.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.606 HG13 ' CD2' ' A' ' 41' ' ' PHE . 38.5 t -64.77 -38.59 83.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.11 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -67.92 -34.96 77.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.473 ' HB3' HG12 ' A' ' 30' ' ' VAL . 1.7 tp10 -62.33 -37.91 87.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.424 ' HB1' HG13 ' A' ' 26' ' ' VAL . . . -58.71 -36.32 74.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.09 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.8 t -60.2 -34.22 73.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.929 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -62.75 -43.24 99.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.925 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -69.5 -47.71 62.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.933 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.606 HG23 ' NH2' ' A' ' 53' ' ' ARG . 71.8 mt -61.18 -37.81 78.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.147 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 51.8 p -60.62 -42.0 95.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -67.45 -35.64 79.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.832 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -94.18 17.96 11.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.44 HD11 ' HG3' ' A' ' 57' ' ' ARG . 20.1 tp -59.93 -28.48 67.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -93.87 -20.99 19.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -61.96 144.09 55.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.9 m -87.5 -51.44 5.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -81.1 98.94 8.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.86 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -102.63 129.95 49.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -116.24 120.5 39.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.906 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.8 tt -62.64 -28.36 44.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.15 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.01 -41.4 87.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.05 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 70.2 m -62.94 -30.63 71.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.49 HG12 HD21 ' A' ' 37' ' ' LEU . 55.5 t -66.68 -48.92 78.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.125 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.721 ' HA ' HD22 ' A' ' 37' ' ' LEU . . . -67.3 -41.57 85.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.119 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 50.3 tp60 -62.6 -37.13 85.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -58.04 -34.86 70.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.834 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.812 HG21 HD13 ' A' ' 37' ' ' LEU . 32.6 m -96.45 16.54 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 88.0 m 51.4 38.47 21.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.546 ' O ' ' HB1' ' A' ' 27' ' ' ALA . 10.4 tp -140.94 163.71 32.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.2 m -72.12 159.75 84.57 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.687 0.756 . . . . 0.0 110.85 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.569 ' HA ' ' HB2' ' A' ' 27' ' ' ALA . 53.6 Cg_endo -69.79 -39.5 6.38 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.655 2.237 . . . . 0.0 112.306 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.1 m -67.7 -46.76 71.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.8 tpm_? -63.59 -44.85 92.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.838 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.812 HD13 HG21 ' A' ' 30' ' ' VAL . 14.7 tp -68.17 -44.64 75.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 27.5 t -60.41 -38.15 83.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 17.2 t60 -59.62 -49.2 78.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.858 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.4 mt -71.86 -32.47 67.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.606 ' CD2' HG13 ' A' ' 5' ' ' VAL . 0.5 OUTLIER -61.45 -50.06 74.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.44 -26.56 67.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.839 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.5 tm0? -78.65 -40.94 32.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -80.27 -39.46 28.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.456 HD12 ' CD1' ' A' ' 52' ' ' TRP . 4.1 mm? -88.73 -16.48 32.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 67.22 8.45 50.34 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.483 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 26.9 pt -149.97 173.58 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.844 0.354 . . . . 0.0 111.131 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.0 t -77.3 153.69 33.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 30.3 t -54.19 -41.83 53.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.116 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 50' ' ' LEU . 7.4 tp -61.55 -35.4 77.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.888 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.6 m -72.91 -48.02 40.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.456 ' CD1' HD12 ' A' ' 45' ' ' LEU . 61.8 t90 -59.94 -40.56 89.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.948 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.606 ' NH2' HG23 ' A' ' 12' ' ' ILE . 21.9 ttm-85 -58.45 -46.38 86.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -65.79 -44.63 85.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -55.69 -41.85 74.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.836 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 -67.95 -37.6 81.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.44 ' HG3' HD11 ' A' ' 16' ' ' LEU . 16.4 mtp180 -58.41 -41.93 86.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.89 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.632 HG21 ' SG ' ' A' ' 94' ' ' CYS . 50.0 mm -65.7 -44.85 93.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.1 t -66.83 -36.02 81.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.7 -43.66 83.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.65 ' HA ' HD12 ' A' ' 64' ' ' LEU . . . -56.81 -38.7 72.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.085 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.436 ' HE3' HG22 ' A' ' 58' ' ' ILE . 31.9 mttt -61.03 -39.72 90.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.408 ' O ' HD13 ' A' ' 63' ' ' LEU . 0.3 OUTLIER -61.9 -44.07 97.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 179.876 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.69 ' HA ' HG22 ' A' ' 67' ' ' THR . 1.1 mt -70.13 -44.46 68.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.557 ' HG ' HG21 ' A' ' 75' ' ' VAL . 1.7 mt -67.18 -25.53 66.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 57.8 m -90.77 -26.52 19.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.69 HG22 ' HA ' ' A' ' 64' ' ' LEU . 3.6 t -94.6 -12.7 26.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.142 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.619 HG23 HG23 ' A' ' 67' ' ' THR . 4.2 p -131.96 173.47 11.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.112 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.75 18.39 13.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 77.9 mtm -65.76 155.49 86.11 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.618 0.723 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.591 ' O ' HG23 ' A' ' 75' ' ' VAL . 53.7 Cg_endo -69.77 166.51 27.35 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.742 2.294 . . . . 0.0 112.335 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 34.4 mm -62.88 -31.02 50.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.15 -47.37 74.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 95.1 m -67.31 -45.9 75.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 71' ' ' PRO . 87.8 t -56.12 -40.29 63.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.098 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.478 ' O ' HG22 ' A' ' 79' ' ' VAL . . . -56.3 -43.9 89.53 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.488 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.49 -33.7 68.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.835 0.35 . . . . 0.0 110.877 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -63.16 -31.97 73.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.514 HG11 ' HB2' ' A' ' 61' ' ' ALA . 34.0 m -98.67 17.8 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 75.16 3.26 68.99 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.515 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.506 ' CD1' HG23 ' A' ' 79' ' ' VAL . 3.7 m-85 -82.29 117.14 22.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.909 0.385 . . . . 0.0 110.878 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -83.56 -31.55 26.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -97.5 118.94 35.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.478 ' HG3' HD22 ' A' ' 85' ' ' LEU . 8.5 pt20 -62.64 -40.69 97.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.478 HD22 ' HG3' ' A' ' 84' ' ' GLN . 4.1 mm? -66.49 -32.58 74.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.432 ' O ' HG12 ' A' ' 90' ' ' VAL . 5.5 t80 -59.84 -47.47 85.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -61.48 -46.47 89.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 92.1 p -65.58 -36.16 82.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 72.5 mtt180 -63.5 -51.73 64.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.871 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.432 HG12 ' O ' ' A' ' 86' ' ' TYR . 7.6 p -70.89 -40.29 76.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.153 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.472 ' CD2' HG23 ' A' ' 58' ' ' ILE . 39.1 t80 -66.14 -36.01 81.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -57.16 -48.54 78.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 32.9 mtpt -76.08 -25.37 55.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.632 ' SG ' HG21 ' A' ' 58' ' ' ILE . 39.3 t -55.67 -49.94 71.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 70.8 p -109.54 -9.97 14.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.92 -5.83 66.56 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.483 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.69 148.63 45.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.783 0.325 . . . . 0.0 111.118 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.18 162.47 39.51 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.681 0.753 . . . . 0.0 110.821 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -33.57 16.31 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.664 2.243 . . . . 0.0 112.336 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.1 m -67.25 -33.92 76.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.854 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -74.13 -47.55 35.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -58.8 -43.21 90.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 65.1 ttp85 -66.46 -36.57 83.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.834 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.95 -33.29 75.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.075 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 87.44 -9.2 74.3 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.507 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 42.7 t -71.68 130.28 40.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.737 0.303 . . . . 0.0 110.926 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.895 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 tpt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.745 0.307 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.576 ' HB3' HG23 ' A' ' 5' ' ' VAL . 10.4 t0 -78.91 144.59 34.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.85 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -60.1 -39.84 87.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -64.19 -46.18 85.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.576 HG23 ' HB3' ' A' ' 2' ' ' ASP . 80.7 t -57.48 -38.69 64.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -55.38 -45.57 76.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -64.75 -35.2 80.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.68 -36.3 73.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.111 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.8 t -60.24 -34.21 73.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -62.62 -47.07 85.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.921 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -69.49 -47.29 64.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 64.5 mt -61.32 -37.83 78.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.088 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.6 m -66.77 -44.67 80.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -66.54 -38.9 88.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -94.8 17.98 12.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.826 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.431 HD11 ' HG3' ' A' ' 57' ' ' ARG . 3.9 tp -62.48 -25.53 68.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.32 -21.03 21.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.081 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -62.59 138.63 58.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.816 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.5 m -79.67 -51.53 9.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.817 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -78.89 107.68 11.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -114.99 126.21 54.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -116.03 113.06 22.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.6 tp -55.08 -28.62 21.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.39 -42.38 95.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.085 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.0 m -62.99 -29.77 71.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.867 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.542 HG12 HD21 ' A' ' 37' ' ' LEU . 81.0 t -70.3 -39.23 76.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.152 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.735 ' HA ' HD22 ' A' ' 37' ' ' LEU . . . -67.2 -49.2 65.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -62.03 -36.88 82.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -57.71 -34.5 69.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.788 HG21 HD13 ' A' ' 37' ' ' LEU . 27.7 m -99.85 18.13 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.08 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 72.9 m 51.47 36.43 16.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.83 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.617 ' HB2' HG23 ' A' ' 30' ' ' VAL . 0.4 OUTLIER -136.64 164.05 29.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.955 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.02 159.98 69.63 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.708 0.766 . . . . 0.0 110.859 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -39.3 6.59 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.707 2.272 . . . . 0.0 112.363 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.1 m -67.89 -43.84 78.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.47 -44.91 61.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.869 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.788 HD13 HG21 ' A' ' 30' ' ' VAL . 15.8 tp -63.39 -44.36 94.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.6 t -59.85 -38.56 82.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -59.7 -48.93 79.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 38.5 mt -71.48 -32.19 67.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.927 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.573 ' CE2' HG13 ' A' ' 5' ' ' VAL . 0.3 OUTLIER -66.65 -52.07 49.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.0 ttp180 -70.45 -26.77 63.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? -78.14 -41.66 34.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 -80.7 -39.02 27.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.427 HD23 ' N ' ' A' ' 45' ' ' LEU . 3.9 mt -88.66 -16.71 31.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.85 9.29 52.33 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.463 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.403 HD11 ' HA ' ' A' ' 52' ' ' TRP . 27.5 pt -149.96 171.25 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.837 0.351 . . . . 0.0 111.123 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 33.8 m -77.24 154.14 33.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.869 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 37.6 t -54.17 -43.57 60.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.135 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.4 mp -61.6 -36.22 80.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.4 t -72.93 -44.91 60.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.403 ' HA ' HD11 ' A' ' 47' ' ' ILE . 37.4 t90 -59.2 -40.87 87.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.904 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -58.29 -47.15 84.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.872 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -57.25 -46.71 82.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -54.92 -41.73 71.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -70.11 -41.23 74.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.944 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.431 ' HG3' HD11 ' A' ' 16' ' ' LEU . 20.5 mtp180 -58.25 -46.78 85.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 42.8 mm -71.46 -45.59 67.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.9 t -59.27 -38.93 81.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.871 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.425 ' O ' HD12 ' A' ' 64' ' ' LEU . 31.7 tp60 -72.21 -44.61 62.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.756 ' HB2' HG11 ' A' ' 79' ' ' VAL . . . -61.76 -46.58 88.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -67.38 -33.14 74.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.933 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.412 ' C ' HD23 ' A' ' 63' ' ' LEU . 10.1 tt -62.54 -49.01 77.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.687 ' HA ' HG22 ' A' ' 67' ' ' THR . 1.1 mt -69.93 -41.25 74.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.608 ' HG ' HG21 ' A' ' 75' ' ' VAL . 6.5 mt -67.55 -25.27 65.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 58.2 m -90.42 -27.2 19.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.687 HG22 ' HA ' ' A' ' 64' ' ' LEU . 4.2 t -94.56 -12.51 27.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.155 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.655 HG23 HG23 ' A' ' 67' ' ' THR . 3.4 p -133.32 173.8 11.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.159 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.74 18.35 15.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 77.5 mtm -62.36 155.57 66.14 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.602 0.715 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.479 ' O ' HG23 ' A' ' 75' ' ' VAL . 53.8 Cg_endo -69.7 162.52 41.7 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.724 2.282 . . . . 0.0 112.373 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 41.5 mt -63.0 -30.78 50.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.171 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.69 -47.27 78.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.13 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 96.9 m -65.12 -50.1 67.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.153 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.608 HG21 ' HG ' ' A' ' 65' ' ' LEU . 42.5 t -59.27 -39.69 79.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.104 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.68 -32.1 58.29 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.485 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 62.7 mtp180 -67.38 -33.52 75.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.807 0.337 . . . . 0.0 110.856 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -63.77 -31.51 72.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.756 HG11 ' HB2' ' A' ' 61' ' ' ALA . 16.2 m -92.95 8.45 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.088 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 78.73 4.67 88.17 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.542 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -95.9 116.6 29.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.833 0.349 . . . . 0.0 110.913 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -82.12 -31.48 30.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -85.38 118.7 25.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -62.57 -36.4 82.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 21.8 mt -68.9 -33.03 73.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.936 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -59.38 -48.44 81.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.45 ' CZ ' ' HB1' ' A' ' 61' ' ' ALA . 34.4 t80 -66.73 -40.67 88.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.9 m -65.61 -37.86 87.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -62.73 -50.56 70.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 99.8 t -70.33 -46.07 72.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -61.36 -35.82 78.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 61.1 tttt -57.13 -47.89 80.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 38.6 mtpt -76.18 -25.77 55.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 16.5 m -60.41 -50.16 74.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 23.1 p -102.72 -11.61 18.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.162 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.61 -9.1 68.92 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.464 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.94 147.21 44.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.823 0.344 . . . . 0.0 111.076 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.77 162.55 35.66 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.594 0.712 . . . . 0.0 110.878 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -30.49 22.13 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.659 2.239 . . . . 0.0 112.321 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 29.9 t -67.52 -35.05 78.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.845 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.78 -47.71 29.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -61.0 -37.67 83.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.11 -42.32 94.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.39 -26.25 67.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.082 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 93.66 -9.18 73.91 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.526 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 2.0 t -69.8 127.9 34.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.815 0.34 . . . . 0.0 110.902 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 21.8 mp0 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.849 -179.845 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 ttt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.78 0.324 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.77 ' HB3' HG23 ' A' ' 5' ' ' VAL . 0.9 OUTLIER -78.86 148.34 32.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -56.5 -45.53 80.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.559 ' NH2' HD13 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -63.09 -34.44 77.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.839 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.77 HG23 ' HB3' ' A' ' 2' ' ' ASP . 89.4 t -60.26 -38.45 77.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.101 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -66.8 -38.23 86.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -72.12 -34.13 68.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.85 -46.72 43.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.11 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 10.6 p -62.74 -31.28 72.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.83 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 68.2 tp60 -63.34 -37.03 85.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -69.55 -41.94 75.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 63.6 mt -61.18 -41.82 90.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.1 p -57.41 -34.16 68.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -67.26 -25.77 66.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -107.98 17.95 21.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.9 tp -54.85 -41.65 71.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.03 -21.05 31.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.093 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -81.47 131.98 35.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m -77.37 -27.74 52.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -73.9 94.6 2.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -118.11 117.87 30.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -116.04 111.57 20.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.7 tt -54.98 -26.28 17.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.36 -43.49 97.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.2 m -63.1 -31.09 72.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.566 HG12 HD21 ' A' ' 37' ' ' LEU . 20.4 t -67.3 -48.61 77.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.126 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.554 ' HB1' ' O ' ' A' ' 32' ' ' LEU . . . -67.13 -41.25 86.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.121 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -63.0 -36.47 83.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -57.25 -33.06 67.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.2 m -100.91 18.28 3.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 66.1 m 51.2 40.87 27.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.559 HD13 ' NH2' ' A' ' 4' ' ' ARG . 0.1 OUTLIER -140.96 164.36 30.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.905 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.21 160.01 78.93 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.618 0.723 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.452 ' HA ' ' HB2' ' A' ' 27' ' ' ALA . 54.2 Cg_endo -69.73 -36.56 10.67 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.707 2.272 . . . . 0.0 112.392 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 55.0 p -65.24 -44.76 87.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -67.57 -41.27 84.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.566 HD21 HG12 ' A' ' 26' ' ' VAL . 24.0 tp -66.11 -44.3 84.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 71.1 p -60.05 -37.17 79.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 18.8 t60 -59.7 -49.8 76.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.556 HD12 HH11 ' A' ' 4' ' ' ARG . 5.7 mt -72.2 -30.92 65.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -63.04 -51.78 65.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 34.1 ttt180 -70.29 -26.28 63.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.51 -42.55 35.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -80.52 -38.58 29.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.932 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.433 HD23 ' N ' ' A' ' 45' ' ' LEU . 3.5 mt -88.4 -16.89 31.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.77 8.88 50.25 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.493 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 28.5 pt -150.18 171.33 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.798 0.332 . . . . 0.0 111.151 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.3 t -77.61 152.93 33.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.4 m -54.12 -40.26 45.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.18 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 39.0 mt -61.96 -36.05 80.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.4 m -72.99 -47.86 41.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 73.9 t90 -59.82 -47.25 86.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.924 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 33.2 ttp180 -58.3 -47.04 84.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.849 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -65.97 -44.62 84.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -54.68 -45.36 73.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -69.67 -34.94 74.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -59.22 -45.11 91.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.603 HG23 ' HD2' ' A' ' 91' ' ' PHE . 47.0 mm -59.24 -45.55 92.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.11 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.4 t -70.52 -31.38 68.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 50.0 tp60 -69.13 -38.93 79.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.887 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.738 ' HB2' ' CG1' ' A' ' 79' ' ' VAL . . . -68.01 -36.38 79.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.087 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.496 ' HD2' HG22 ' A' ' 58' ' ' ILE . 3.6 mtpm? -71.71 -32.35 67.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.6 -50.94 71.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.598 HD12 ' OG1' ' A' ' 68' ' ' THR . 1.6 pp -70.43 -36.57 74.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.598 HD12 HG11 ' A' ' 75' ' ' VAL . 0.3 OUTLIER -64.04 -28.81 70.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.957 179.855 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.9 t -68.63 -18.07 64.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.518 HG23 HG23 ' A' ' 68' ' ' THR . 8.5 t -122.56 2.61 9.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.137 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.598 ' OG1' HD12 ' A' ' 64' ' ' LEU . 35.8 p -132.39 162.66 30.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.171 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.49 18.46 10.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 63.7 mtm -60.64 157.29 38.61 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.516 0.674 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.411 ' O ' HG23 ' A' ' 75' ' ' VAL . 53.9 Cg_endo -69.72 166.46 27.47 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.665 2.243 . . . . 0.0 112.324 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 51.1 mm -62.42 -30.97 50.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.139 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.65 -47.2 79.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.09 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 28.7 m -67.64 -50.08 59.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.151 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.598 HG11 HD12 ' A' ' 65' ' ' LEU . 69.5 t -57.95 -40.67 77.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.071 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.21 -32.48 60.23 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.512 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.94 -32.41 69.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.827 0.346 . . . . 0.0 110.897 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -59.92 -31.58 69.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.738 ' CG1' ' HB2' ' A' ' 61' ' ' ALA . 13.8 m -92.63 1.08 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 92.96 0.59 68.29 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.523 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -91.53 117.11 29.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.841 0.353 . . . . 0.0 110.854 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -84.59 -31.51 24.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.83 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -89.66 118.48 29.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -63.13 -39.28 94.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.7 mt -63.43 -38.13 89.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -63.68 -45.49 89.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -66.62 -45.85 77.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.855 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 11.9 t -65.52 -37.59 87.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 65.7 mtt-85 -62.94 -50.69 69.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 99.6 t -70.37 -45.72 73.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.116 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.603 ' HD2' HG23 ' A' ' 58' ' ' ILE . 45.0 t80 -61.48 -36.06 79.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 27.0 tttm -57.31 -44.59 84.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 23.1 mtmm -75.76 -25.56 56.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.536 ' SG ' HG21 ' A' ' 58' ' ' ILE . 2.9 t -56.2 -49.92 72.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 19.3 p -108.49 -9.7 15.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.117 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.97 -7.4 67.33 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.491 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.73 148.25 45.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.783 0.325 . . . . 0.0 111.09 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.14 162.45 39.35 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.658 0.742 . . . . 0.0 110.869 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -32.37 18.71 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.676 2.251 . . . . 0.0 112.383 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 30.0 t -67.46 -34.06 76.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -74.52 -47.64 31.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -60.32 -43.96 95.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -63.88 -40.59 96.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.888 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.78 -33.83 74.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.082 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 89.24 -9.09 78.24 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.465 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 5.5 t -80.5 135.8 36.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.743 0.306 . . . . 0.0 110.91 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.875 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.718 0.294 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -78.48 148.99 33.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -53.47 -29.24 34.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 34.6 mtm180 -70.61 -49.07 51.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.422 HG13 ' CD2' ' A' ' 41' ' ' PHE . 99.5 t -69.38 -38.41 77.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.165 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.73 -34.36 62.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -71.66 -33.65 69.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.925 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.81 -46.92 56.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.102 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.782 ' HA ' HD12 ' A' ' 12' ' ' ILE . 13.8 p -65.68 -31.31 72.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 49.8 tp60 -64.33 -35.86 82.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -69.49 -37.29 77.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.782 HD12 ' HA ' ' A' ' 9' ' ' CYS . 31.8 mt -61.51 -36.89 76.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.12 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.3 p -58.62 -36.4 74.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.822 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -67.44 -27.11 66.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 34.0 m-70 -101.84 17.87 21.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.575 HD12 ' NH2' ' A' ' 53' ' ' ARG . 8.0 tt -60.9 -29.44 69.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.949 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -93.37 -20.91 19.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.079 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.82 131.22 46.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 39.3 m -73.44 -51.47 17.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -85.96 94.28 9.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -98.51 132.13 44.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -116.06 123.31 47.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.3 tt -68.95 -22.54 26.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.159 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.47 -42.96 99.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 21.1 m -62.81 -29.5 70.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.797 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.547 HG12 HD21 ' A' ' 37' ' ' LEU . 60.8 t -66.57 -50.07 69.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.122 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.798 ' HA ' HD22 ' A' ' 37' ' ' LEU . . . -67.5 -43.74 80.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.085 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -61.99 -36.55 81.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.934 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -57.53 -34.67 69.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.754 HG21 HD13 ' A' ' 37' ' ' LEU . 16.0 m -98.83 19.0 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 2.8 t 51.4 37.78 20.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.544 ' O ' ' HB1' ' A' ' 27' ' ' ALA . 1.4 mt -137.38 163.38 31.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.946 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.6 m -76.68 159.08 79.99 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.636 0.731 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.442 ' HA ' ' HB2' ' A' ' 27' ' ' ALA . 53.5 Cg_endo -69.81 -39.3 6.56 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.673 2.248 . . . . 0.0 112.377 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 83.3 p -67.58 -46.83 71.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.15 -41.45 86.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.843 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.798 HD22 ' HA ' ' A' ' 27' ' ' ALA . 11.1 tp -69.22 -44.47 71.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.923 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.3 t -59.8 -40.29 87.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 18.8 t60 -59.52 -48.74 80.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.94 -31.57 66.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.525 ' CD1' HG22 ' A' ' 49' ' ' VAL . 0.7 OUTLIER -59.3 -50.38 74.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 179.911 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 49.8 ttt180 -68.44 -25.61 65.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 -77.95 -41.0 37.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -81.31 -39.4 25.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.631 HD21 ' CD1' ' A' ' 52' ' ' TRP . 0.3 OUTLIER -88.33 -16.91 31.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 67.76 8.25 51.88 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.462 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.543 HG12 HD22 ' A' ' 45' ' ' LEU . 24.0 pt -149.6 172.95 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.901 0.382 . . . . 0.0 111.099 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.8 m -77.24 147.57 36.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.525 HG22 ' CD1' ' A' ' 41' ' ' PHE . 30.3 t -54.04 -45.03 64.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.116 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.8 mp -62.0 -33.35 74.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.8 t -73.01 -43.83 61.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.631 ' CD1' HD21 ' A' ' 45' ' ' LEU . 60.4 t90 -58.68 -40.9 84.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.575 ' NH2' HD12 ' A' ' 16' ' ' LEU . 7.8 tpm_? -61.36 -46.59 89.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 55.8 tt0 -62.66 -46.64 87.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -57.85 -41.58 82.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 -69.94 -38.2 76.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.964 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 31.5 mtp180 -58.29 -41.11 83.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 51.2 mm -71.42 -45.48 68.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.9 t -62.76 -37.63 87.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.448 ' O ' HD12 ' A' ' 64' ' ' LEU . 7.8 tp60 -71.81 -44.25 64.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.75 ' HB2' HG11 ' A' ' 79' ' ' VAL . . . -57.16 -46.48 82.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.086 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.08 -33.14 73.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.405 ' O ' HD13 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -60.76 -49.53 77.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.676 ' HA ' HG22 ' A' ' 67' ' ' THR . 0.6 OUTLIER -69.92 -39.02 76.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 179.897 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.732 ' CD1' HG11 ' A' ' 75' ' ' VAL . 0.3 OUTLIER -66.65 -25.29 66.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.878 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.1 t -90.55 -26.71 19.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.676 HG22 ' HA ' ' A' ' 64' ' ' LEU . 3.0 t -94.57 -11.44 29.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.158 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.603 HG23 HG23 ' A' ' 67' ' ' THR . 4.8 p -133.09 173.66 11.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.169 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 -119.8 18.65 12.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.857 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 72.8 mtm -60.54 156.71 41.31 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.552 0.692 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.622 ' O ' HG23 ' A' ' 75' ' ' VAL . 53.6 Cg_endo -69.8 165.68 30.19 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.632 2.221 . . . . 0.0 112.352 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 33.6 mm -63.77 -31.0 51.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.86 -47.34 72.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.093 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 99.4 m -67.25 -46.59 73.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.732 HG11 ' CD1' ' A' ' 65' ' ' LEU . 94.3 t -56.13 -40.9 67.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.475 ' O ' HG22 ' A' ' 79' ' ' VAL . . . -58.41 -42.52 95.78 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.514 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 45.3 mtp85 -57.84 -34.34 69.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.811 0.339 . . . . 0.0 110.877 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -61.07 -31.71 71.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.75 HG11 ' HB2' ' A' ' 61' ' ' ALA . 33.5 m -100.3 17.54 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 74.16 4.56 68.58 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.488 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.494 ' CD1' HG23 ' A' ' 79' ' ' VAL . 3.7 m-85 -82.75 117.12 22.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.848 0.356 . . . . 0.0 110.923 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -83.25 -31.52 26.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -94.46 119.02 32.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -62.41 -41.06 98.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -69.2 -34.32 74.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -60.14 -41.51 92.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.587 ' CZ ' ' HB1' ' A' ' 61' ' ' ALA . 32.4 t80 -66.74 -45.43 78.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 62.9 p -65.52 -38.28 89.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 29.2 mtt-85 -62.98 -50.49 70.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.93 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 85.9 t -70.21 -45.64 74.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.106 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -61.23 -37.14 81.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -25.79 67.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.957 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 40.4 mttt -78.33 -25.26 46.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.48 -41.41 18.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.1 p -94.03 -15.73 24.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.16 -9.82 68.37 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.477 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -138.89 152.99 48.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.828 0.347 . . . . 0.0 111.099 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.79 162.95 32.17 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.672 0.749 . . . . 0.0 110.862 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -32.27 19.0 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.622 2.215 . . . . 0.0 112.368 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.7 t -67.79 -34.08 76.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.856 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -74.82 -47.98 27.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -59.76 -44.48 93.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 57.6 ttt-85 -59.35 -42.08 90.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.902 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -67.14 -28.53 68.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.074 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 88.25 -9.15 76.25 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.464 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 13.9 t -69.08 138.06 54.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.777 0.323 . . . . 0.0 110.864 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.868 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.2 tpt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.763 0.316 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.612 ' OD2' HG23 ' A' ' 5' ' ' VAL . 16.9 p-10 -78.79 145.62 34.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -64.84 -31.88 73.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -55.71 -50.07 71.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.713 HG13 ' CE2' ' A' ' 41' ' ' PHE . 68.0 t -70.09 -38.48 75.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -54.8 -35.67 64.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -67.63 -40.6 84.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.66 -36.28 73.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.099 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.3 t -60.16 -34.07 73.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 60.0 tp60 -61.99 -43.18 99.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -69.39 -48.47 61.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 61.6 mt -61.82 -40.44 86.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.155 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.7 t -57.35 -39.5 76.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -67.45 -26.67 66.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.906 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -108.6 18.02 21.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.7 tp -56.64 -26.17 55.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.949 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.39 -21.02 21.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -61.99 149.33 41.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.7 m -90.83 -50.94 5.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.828 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -82.19 106.51 14.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.491 ' HZ ' HG21 ' A' ' 26' ' ' VAL . 18.2 t80 -104.77 134.08 48.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.08 118.43 32.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.3 tp -69.15 -29.86 44.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.17 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.46 -42.94 97.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.079 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.8 m -62.99 -29.79 71.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.491 HG21 ' HZ ' ' A' ' 21' ' ' PHE . 48.1 t -70.42 -38.66 74.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.166 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.549 ' HB1' ' O ' ' A' ' 32' ' ' LEU . . . -67.38 -49.06 65.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -61.38 -36.92 81.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -57.64 -34.93 69.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.835 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.457 HG21 HD22 ' A' ' 37' ' ' LEU . 32.6 m -97.68 16.22 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.171 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 4.6 t 51.54 36.81 17.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.549 ' O ' ' HB1' ' A' ' 27' ' ' ALA . 20.2 tp -140.69 163.48 32.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.9 m -74.59 160.29 81.41 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.653 0.739 . . . . 0.0 110.854 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -39.04 6.93 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.664 2.242 . . . . 0.0 112.354 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.1 m -66.52 -46.74 75.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.4 mtm180 -66.38 -44.38 83.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.864 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.482 HD21 HG12 ' A' ' 26' ' ' VAL . 27.2 tp -66.64 -43.98 83.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 24.3 m -59.82 -38.65 82.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.831 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -59.76 -48.99 79.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 42.9 mt -71.65 -31.87 67.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.713 ' CE2' HG13 ' A' ' 5' ' ' VAL . 0.4 OUTLIER -63.39 -50.37 70.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.47 -27.05 66.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -79.27 -39.44 32.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 35.9 mm-40 -80.76 -40.26 25.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.5 HD12 ' CD1' ' A' ' 52' ' ' TRP . 4.0 mm? -89.14 -16.77 30.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.945 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 69.46 5.95 52.19 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.458 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 25.0 pt -149.78 175.85 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.886 0.374 . . . . 0.0 111.13 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 83.3 p -77.17 148.72 35.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.462 HG22 ' CD1' ' A' ' 41' ' ' PHE . 29.9 t -54.06 -38.89 39.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.096 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 50' ' ' LEU . 6.2 tp -61.15 -41.12 96.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.967 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.2 t -73.01 -42.04 63.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.5 ' CD1' HD12 ' A' ' 45' ' ' LEU . 66.1 t90 -59.51 -40.58 87.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.1 ttp180 -58.32 -46.68 85.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -65.87 -44.09 86.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.39 -37.78 88.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.89 -40.98 90.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.403 ' O ' HG12 ' A' ' 79' ' ' VAL . 12.9 mtp180 -58.15 -46.78 85.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.613 HG23 ' HD2' ' A' ' 91' ' ' PHE . 47.0 mm -62.08 -45.45 98.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.099 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.4 t -61.78 -37.26 83.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.469 ' O ' HD12 ' A' ' 64' ' ' LEU . 7.5 tp60 -71.41 -38.19 71.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.789 ' HB2' HG11 ' A' ' 79' ' ' VAL . . . -56.73 -36.27 69.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.123 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -70.2 -41.09 74.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.67 -48.68 80.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.7 ' HA ' HG22 ' A' ' 67' ' ' THR . 0.6 OUTLIER -68.55 -39.48 81.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.947 179.837 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.65 ' HG ' HG11 ' A' ' 75' ' ' VAL . 11.2 mt -67.93 -25.26 65.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.3 t -90.51 -26.74 19.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.7 HG22 ' HA ' ' A' ' 64' ' ' LEU . 3.8 t -94.63 -12.64 27.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.152 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.64 HG23 HG23 ' A' ' 67' ' ' THR . 3.7 p -133.04 173.71 11.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.8 18.45 12.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 73.2 mtm -61.75 156.04 57.7 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.529 0.68 . . . . 0.0 110.91 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.432 ' O ' HG23 ' A' ' 75' ' ' VAL . 54.0 Cg_endo -69.74 166.4 27.7 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.669 2.246 . . . . 0.0 112.326 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 37.9 mt -63.0 -30.88 50.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.179 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.43 -47.29 76.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 81.3 m -64.58 -50.2 68.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.191 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.65 HG11 ' HG ' ' A' ' 65' ' ' LEU . 48.3 t -59.68 -39.93 80.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.188 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.69 -32.17 58.39 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.426 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 67.7 mtp180 -70.42 -33.69 71.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.831 0.348 . . . . 0.0 110.862 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 48.6 m-20 -63.37 -31.64 72.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.789 HG11 ' HB2' ' A' ' 61' ' ' ALA . 15.9 m -90.77 13.05 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 73.53 28.49 65.45 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.492 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -122.95 116.82 24.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.81 0.338 . . . . 0.0 110.884 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -83.27 -31.55 26.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.911 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -84.11 118.06 23.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -63.51 -40.73 97.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.4 mp -67.68 -37.44 82.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.958 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.431 ' O ' HG12 ' A' ' 90' ' ' VAL . 5.3 t80 -60.09 -48.6 81.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.948 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -60.92 -45.53 94.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.4 p -65.77 -36.4 83.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 46.2 mtt-85 -64.15 -51.32 64.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.431 HG12 ' O ' ' A' ' 86' ' ' TYR . 7.3 p -70.47 -40.68 77.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.14 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.613 ' HD2' HG23 ' A' ' 58' ' ' ILE . 51.9 t80 -66.22 -36.16 82.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.36 -41.52 80.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.6 mtpp -75.81 -25.54 56.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.589 ' SG ' HG21 ' A' ' 58' ' ' ILE . 26.0 t -56.14 -49.89 72.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 30.8 p -108.74 -9.54 15.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.101 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.96 -7.04 67.2 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.71 147.13 44.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.82 0.343 . . . . 0.0 111.091 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.94 162.41 38.2 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.686 0.755 . . . . 0.0 110.853 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -31.86 19.7 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.633 2.222 . . . . 0.0 112.347 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 13.8 t -67.27 -34.47 77.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -74.65 -47.59 31.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -59.66 -44.45 93.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 12.8 ttt-85 -61.33 -35.58 77.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.46 -30.41 70.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.092 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 86.99 -9.14 73.54 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.437 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 16.5 m -89.19 121.14 31.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.786 0.327 . . . . 0.0 110.863 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 -179.879 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.1 tpp . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.765 0.317 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -78.64 146.37 34.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.859 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.38 -45.58 93.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.2 mtt85 -55.82 -48.89 74.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.509 HG13 ' CD2' ' A' ' 41' ' ' PHE . 46.1 t -69.19 -38.18 77.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.105 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -54.58 -34.57 62.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.79 -33.37 68.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.677 ' HB2' HG11 ' A' ' 30' ' ' VAL . . . -73.43 -46.7 46.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.104 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 12.3 p -63.91 -31.41 72.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.845 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.5 tp-100 -61.7 -35.78 79.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -64.7 -35.72 81.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 69.9 mt -64.82 -35.74 75.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.136 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.9 p -58.96 -43.52 91.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -60.62 -27.01 67.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.885 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 32.2 m-70 -106.81 17.96 22.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.4 tp -57.41 -26.16 60.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -92.53 -20.96 20.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.125 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -62.89 152.56 36.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.2 p -94.39 -47.68 6.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -87.01 101.29 13.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -102.39 133.17 47.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -116.0 123.38 47.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.4 tt -69.06 -28.64 40.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.179 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.34 -40.34 90.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.121 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.7 m -62.86 -29.27 70.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.631 HG12 HD21 ' A' ' 37' ' ' LEU . 58.2 t -70.8 -47.54 62.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.148 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.798 ' HA ' HD22 ' A' ' 37' ' ' LEU . . . -67.7 -49.46 62.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -60.99 -35.33 76.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.919 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -57.36 -34.64 69.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.73 HG21 HD13 ' A' ' 37' ' ' LEU . 19.5 m -100.77 21.25 2.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.114 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 61.3 m 51.47 41.23 28.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.532 ' HB2' HG23 ' A' ' 30' ' ' VAL . 1.3 mt -140.63 163.9 31.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 m -80.05 158.97 71.77 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.623 0.725 . . . . 0.0 110.876 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -38.72 7.45 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.716 2.277 . . . . 0.0 112.354 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 p -66.97 -46.84 73.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.9 mmt180 -70.01 -39.94 75.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.798 HD22 ' HA ' ' A' ' 27' ' ' ALA . 7.4 tp -68.74 -44.33 74.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.5 t -59.61 -40.33 87.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 20.5 t60 -59.27 -48.79 80.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.88 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.9 mt -72.03 -31.08 65.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.66 ' CD1' HG22 ' A' ' 49' ' ' VAL . 0.7 OUTLIER -61.29 -51.16 70.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.907 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.6 ttp180 -68.6 -26.19 65.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -78.25 -38.88 41.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 37.1 mm-40 -81.99 -40.28 22.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.934 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.615 HD21 ' CD1' ' A' ' 52' ' ' TRP . 0.2 OUTLIER -88.96 -15.0 35.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.16 9.51 48.55 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.518 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 25.1 pt -149.51 172.06 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.839 0.352 . . . . 0.0 111.117 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 14.8 m -77.11 145.9 37.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.66 HG22 ' CD1' ' A' ' 41' ' ' PHE . 59.9 t -53.71 -44.24 58.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.4 mp -62.11 -32.96 73.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.947 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.6 m -72.96 -45.06 60.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.615 ' CD1' HD21 ' A' ' 45' ' ' LEU . 59.5 t90 -58.55 -40.5 83.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.922 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 29.3 ttt85 -60.48 -47.15 87.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.853 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -65.99 -46.67 77.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -55.88 -37.65 69.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -66.0 -38.84 89.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.48 ' O ' HG11 ' A' ' 79' ' ' VAL . 11.5 mtp180 -58.17 -46.94 84.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.686 HG22 ' HD2' ' A' ' 62' ' ' LYS . 44.7 mm -73.05 -39.76 57.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.1 t -60.6 -40.92 93.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.5 tm0? -71.49 -38.24 71.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.89 -36.33 82.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.074 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.686 ' HD2' HG22 ' A' ' 58' ' ' ILE . 14.1 mttm -71.41 -33.03 69.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.5 tt -67.87 -50.03 58.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.927 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.637 HD21 HG13 ' A' ' 75' ' ' VAL . 2.4 pp -69.44 -37.67 77.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.961 HD21 HG21 ' A' ' 75' ' ' VAL . 21.4 mt -64.92 -28.73 69.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.7 m -70.41 -16.18 62.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.551 HG23 HG23 ' A' ' 68' ' ' THR . 7.2 t -122.68 1.55 9.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.127 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.551 HG23 HG23 ' A' ' 67' ' ' THR . 33.6 p -133.34 161.74 33.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.48 18.28 10.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 54.9 mtm -63.6 156.82 69.58 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.544 0.687 . . . . 0.0 110.885 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 155.0 67.34 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.709 2.273 . . . . 0.0 112.353 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 57.9 mt -51.82 -30.87 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.68 -47.19 70.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.103 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 99.3 m -66.3 -40.43 89.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.156 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.961 HG21 HD21 ' A' ' 65' ' ' LEU . 97.8 t -67.78 -43.43 86.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.142 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.67 -43.52 91.43 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.454 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 20.2 mtt-85 -57.69 -34.91 69.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.817 0.341 . . . . 0.0 110.895 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -69.13 -15.52 63.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.48 HG11 ' O ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -108.14 -1.85 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 179.926 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.9 27.89 11.87 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.484 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -105.72 117.21 33.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.846 0.355 . . . . 0.0 110.829 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -79.42 -31.52 42.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -111.3 118.45 35.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.514 ' CG ' HD22 ' A' ' 85' ' ' LEU . 14.3 pt20 -63.03 -32.4 73.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.932 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.514 HD22 ' CG ' ' A' ' 84' ' ' GLN . 4.3 mm? -66.18 -38.07 87.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -59.09 -48.88 79.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -53.55 -35.05 60.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.7 p -66.17 -37.5 85.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -62.87 -51.05 68.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.833 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 92.8 t -70.38 -45.59 74.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.092 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.676 ' CD2' HG23 ' A' ' 58' ' ' ILE . 34.2 t80 -61.48 -36.17 79.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 36.3 tttt -57.92 -48.36 80.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.2 pttp -76.01 -24.71 55.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.481 ' SG ' HG21 ' A' ' 58' ' ' ILE . 13.5 t -55.31 -50.25 70.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 77.1 p -111.56 -8.96 14.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.97 -6.91 67.08 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.516 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.66 154.99 49.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.835 0.35 . . . . 0.0 111.095 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.66 162.9 31.66 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.682 0.753 . . . . 0.0 110.843 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -29.39 24.26 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.714 2.276 . . . . 0.0 112.35 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 37.5 p -67.45 -33.75 75.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.826 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.33 -47.86 46.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -62.06 -43.72 98.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 22.3 tpt85 -59.24 -32.75 70.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.03 -32.89 74.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 89.24 -9.12 78.15 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.482 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 6.4 t -74.1 130.95 40.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.777 0.322 . . . . 0.0 110.859 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 -179.885 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.806 0.336 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -78.96 148.31 32.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.849 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -55.41 -43.22 75.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 42.0 mtt85 -62.04 -45.19 94.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.773 HG21 ' HG3' ' A' ' 44' ' ' GLN . 95.6 t -67.3 -39.01 81.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -55.05 -34.76 63.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -64.42 -36.61 84.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.55 -39.83 94.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 33.8 t -60.38 -34.96 74.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -63.66 -43.79 95.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.431 ' HD2' HG22 ' A' ' 26' ' ' VAL . 73.0 t80 -69.46 -46.34 66.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.9 mt -61.11 -36.53 73.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.151 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.7 p -58.51 -44.89 89.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.845 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -67.32 -31.59 71.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -94.05 17.83 11.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.694 HD11 ' HG3' ' A' ' 57' ' ' ARG . 6.2 tp -65.59 -26.99 68.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -93.37 -20.92 19.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.077 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -61.94 135.16 57.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.5 m -77.03 -51.27 11.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 48.8 m-20 -87.79 94.22 9.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.568 ' HZ ' HG21 ' A' ' 26' ' ' VAL . 16.2 t80 -80.26 136.94 36.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -115.94 97.65 6.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 7.4 tp -57.83 -29.29 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.64 98.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.2 m -63.0 -36.45 83.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.568 HG21 ' HZ ' ' A' ' 21' ' ' PHE . 39.3 t -63.49 -46.05 96.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.126 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.603 ' HA ' HD22 ' A' ' 37' ' ' LEU . . . -67.35 -45.4 76.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -61.38 -37.07 82.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.856 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -58.09 -34.77 70.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.487 HG23 ' HB2' ' A' ' 32' ' ' LEU . 15.3 m -98.68 20.05 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 3.7 t 51.3 36.73 16.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.535 ' O ' ' HB1' ' A' ' 27' ' ' ALA . 0.4 OUTLIER -135.78 164.17 28.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.9 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.0 159.99 61.54 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.686 0.755 . . . . 0.0 110.847 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -39.07 7.0 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.677 2.252 . . . . 0.0 112.384 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.9 t -67.33 -43.75 80.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.0 -44.2 63.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.603 HD22 ' HA ' ' A' ' 27' ' ' ALA . 22.1 tp -60.73 -44.64 96.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.4 t -60.08 -39.88 87.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 16.7 t60 -59.7 -48.72 80.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.895 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 67.2 mt -70.82 -32.1 69.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.949 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.545 ' CE1' HG13 ' A' ' 5' ' ' VAL . 0.4 OUTLIER -64.14 -35.02 79.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 179.919 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.71 -46.81 86.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -79.95 -32.94 39.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.773 ' HG3' HG21 ' A' ' 5' ' ' VAL . 58.7 mm-40 -70.13 -40.56 74.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.54 HD12 ' CD1' ' A' ' 52' ' ' TRP . 4.0 mm? -100.76 -9.63 21.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 73.21 0.79 54.66 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.471 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.43 HD11 ' HA ' ' A' ' 52' ' ' TRP . 32.4 pt -150.14 177.77 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.858 0.361 . . . . 0.0 111.11 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.94 144.46 41.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.0 p -53.36 -35.51 24.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.169 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 74.1 mt -62.69 -44.47 96.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.92 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.6 t -73.12 -39.3 65.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.54 ' CD1' HD12 ' A' ' 45' ' ' LEU . 79.0 t90 -58.41 -40.0 81.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.19 -45.62 87.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.913 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -65.89 -42.23 90.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -57.79 -43.38 85.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 51.5 mm-40 -66.02 -34.73 78.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.694 ' HG3' HD11 ' A' ' 16' ' ' LEU . 31.5 mtt180 -62.07 -46.75 87.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.554 HG21 ' SG ' ' A' ' 94' ' ' CYS . 41.6 mm -66.13 -45.26 90.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.143 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.5 t -63.48 -37.5 87.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 49.5 tp60 -71.33 -38.74 71.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.575 ' HB2' HG11 ' A' ' 79' ' ' VAL . . . -56.56 -37.65 70.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.139 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 46.9 mttt -62.99 -39.78 95.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.1 tt -63.77 -45.17 90.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.689 ' HA ' HG22 ' A' ' 67' ' ' THR . 1.2 mt -69.97 -44.18 69.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.938 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.627 ' HG ' HG11 ' A' ' 75' ' ' VAL . 6.8 mt -67.09 -25.36 66.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 57.7 m -90.8 -26.67 19.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.689 HG22 ' HA ' ' A' ' 64' ' ' LEU . 3.6 t -94.55 -12.23 27.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.144 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.628 HG23 HG23 ' A' ' 67' ' ' THR . 3.9 p -132.94 173.55 11.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.158 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.54 18.32 12.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 72.1 mtm -64.16 155.78 77.71 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.601 0.715 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.522 ' O ' HG23 ' A' ' 75' ' ' VAL . 53.7 Cg_endo -69.77 166.44 27.59 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.709 2.272 . . . . 0.0 112.35 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 40.4 mt -62.25 -30.73 49.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.129 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.5 -47.26 76.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 60.8 m -65.66 -50.22 65.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.17 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.627 HG11 ' HG ' ' A' ' 65' ' ' LEU . 45.0 t -57.38 -39.96 71.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.159 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.65 -32.07 58.19 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.488 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 24.2 mmm-85 -70.61 -33.6 71.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.865 0.364 . . . . 0.0 110.908 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -63.34 -31.85 73.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.575 HG11 ' HB2' ' A' ' 61' ' ' ALA . 16.0 m -90.27 11.94 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 74.82 28.39 62.96 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.478 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -123.09 116.9 24.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.868 0.366 . . . . 0.0 110.848 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -79.85 -31.38 40.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -88.78 118.61 28.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.49 ' HG3' HD22 ' A' ' 85' ' ' LEU . 12.6 pt20 -62.79 -40.66 98.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.933 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.49 HD22 ' HG3' ' A' ' 84' ' ' GLN . 3.8 mm? -63.41 -32.97 74.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.952 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -59.89 -48.04 83.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -66.8 -39.82 87.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.849 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 49.7 m -65.38 -36.6 84.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.3 mmm-85 -63.94 -51.19 65.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.844 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.407 HG13 ' N ' ' A' ' 91' ' ' PHE . 7.1 p -70.6 -40.56 77.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.407 ' N ' HG13 ' A' ' 90' ' ' VAL . 45.4 t80 -66.35 -35.84 81.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 53.4 tttt -57.73 -46.27 84.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.1 pttp -75.69 -24.55 56.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.554 ' SG ' HG21 ' A' ' 58' ' ' ILE . 23.2 t -55.35 -50.01 70.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 28.9 p -111.61 -8.59 14.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 96.21 -7.51 66.77 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.545 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.73 153.89 49.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.726 0.298 . . . . 0.0 111.111 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.29 163.13 27.15 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.639 0.733 . . . . 0.0 110.889 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -29.82 23.34 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.656 2.238 . . . . 0.0 112.338 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.3 p -67.45 -33.75 75.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.89 -47.89 49.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -58.47 -37.62 75.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -68.17 -34.32 76.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.06 -33.82 76.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.114 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 86.39 11.95 71.0 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.498 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.3 t -72.68 123.26 22.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.773 0.32 . . . . 0.0 110.908 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.908 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.742 0.306 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -82.53 148.49 28.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -56.89 -45.67 82.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.87 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.2 ttm-85 -60.26 -45.67 92.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.927 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.668 HG13 ' CE1' ' A' ' 41' ' ' PHE . 98.4 t -66.83 -38.46 81.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.75 -34.7 62.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -72.39 -33.22 67.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.405 ' HB1' ' CG1' ' A' ' 26' ' ' VAL . . . -71.16 -47.58 56.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.058 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 15.0 p -65.84 -31.64 72.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -63.68 -41.68 98.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.959 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -69.72 -44.11 70.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.933 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.486 HD11 HG11 ' A' ' 26' ' ' VAL . 51.0 mt -62.31 -38.33 80.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.099 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.3 t -62.47 -44.36 96.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -60.23 -37.88 81.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -96.86 17.93 15.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 31.7 tp -56.63 -26.24 55.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.0 -21.0 31.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -64.95 153.37 40.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.5 m -94.36 -51.01 4.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.824 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -81.17 107.9 14.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.539 ' HZ ' HG21 ' A' ' 26' ' ' VAL . 22.6 t80 -110.71 132.42 54.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -116.05 103.93 11.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.879 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 7.3 tp -57.08 -30.14 33.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.116 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.41 -42.18 98.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.087 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 70.7 m -62.98 -34.96 78.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.539 HG21 ' HZ ' ' A' ' 21' ' ' PHE . 91.8 t -67.2 -44.41 87.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.133 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.54 ' HA ' HD22 ' A' ' 37' ' ' LEU . . . -66.97 -43.8 82.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -62.11 -37.22 84.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -57.98 -34.78 70.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 32.6 m -97.0 17.06 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 4.6 t 51.48 38.82 23.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.537 ' O ' ' HB1' ' A' ' 27' ' ' ALA . 0.2 OUTLIER -140.94 163.86 31.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.931 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.405 ' H ' HD23 ' A' ' 32' ' ' LEU . 0.6 OUTLIER -83.63 160.28 59.2 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.745 0.784 . . . . 0.0 110.82 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -36.22 11.21 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.693 2.262 . . . . 0.0 112.318 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.0 t -67.14 -46.77 73.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.824 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.4 -44.85 61.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.54 HD22 ' HA ' ' A' ' 27' ' ' ALA . 21.7 tp -59.87 -44.26 94.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.7 t -59.68 -37.35 78.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.851 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -59.82 -50.25 74.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.833 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.7 mt -72.38 -32.32 66.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.668 ' CE1' HG13 ' A' ' 5' ' ' VAL . 0.6 OUTLIER -57.61 -48.75 78.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.428 ' HA ' ' O ' ' A' ' 47' ' ' ILE . 0.4 OUTLIER -68.44 -25.32 64.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.3 tm0? -78.46 -40.48 35.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.9 mm-40 -82.03 -39.64 23.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.692 HD21 ' CD1' ' A' ' 52' ' ' TRP . 0.3 OUTLIER -88.33 -17.88 29.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 69.94 6.13 55.13 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.493 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.593 HG12 HD22 ' A' ' 45' ' ' LEU . 18.8 pt -147.23 174.42 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.847 0.356 . . . . 0.0 111.12 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.0 p -75.91 140.84 42.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.8 p -52.76 -43.39 44.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.105 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 83.1 mt -63.78 -32.65 74.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 27.4 t -73.09 -43.7 61.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.692 ' CD1' HD21 ' A' ' 45' ' ' LEU . 74.7 t90 -57.05 -40.51 76.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.975 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.7 ttp180 -58.33 -47.04 85.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.817 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -66.35 -38.18 87.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -66.63 -37.04 84.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -66.65 -45.0 80.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 19.4 ptt180 -70.99 -42.38 69.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.851 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.467 HG23 ' CD1' ' A' ' 91' ' ' PHE . 23.3 mm -66.96 -40.61 86.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.0 t -70.29 -33.48 71.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -71.5 -39.14 71.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.492 ' HB2' HG11 ' A' ' 79' ' ' VAL . . . -64.15 -46.85 82.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -71.68 -33.24 68.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.491 ' C ' HD13 ' A' ' 63' ' ' LEU . 3.1 tm? -67.99 -50.03 58.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.507 HD11 HG13 ' A' ' 75' ' ' VAL . 2.7 pp -70.03 -37.81 75.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.861 HD21 HG21 ' A' ' 75' ' ' VAL . 6.3 mt -55.09 -29.07 56.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.6 t -74.17 -34.02 63.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.422 HG22 ' HA ' ' A' ' 64' ' ' LEU . 8.7 t -98.74 7.8 45.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.166 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 64' ' ' LEU . 43.4 p -133.19 162.09 32.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.187 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.44 18.4 10.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 78.2 mtm -70.44 155.36 93.54 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.582 0.706 . . . . 0.0 110.85 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.516 ' O ' HG23 ' A' ' 75' ' ' VAL . 53.5 Cg_endo -69.78 153.04 69.31 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.618 2.212 . . . . 0.0 112.342 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 70.5 mt -52.47 -30.86 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.092 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.46 -47.2 73.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 99.1 m -67.59 -45.11 76.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.137 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.861 HG21 HD21 ' A' ' 65' ' ' LEU . 42.0 t -56.2 -40.54 65.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.122 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.484 ' O ' HG22 ' A' ' 79' ' ' VAL . . . -57.45 -42.89 94.08 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.475 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 66.6 mtt180 -57.43 -34.1 68.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.806 0.336 . . . . 0.0 110.845 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -61.31 -31.72 71.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.494 HG23 ' CD1' ' A' ' 81' ' ' PHE . 33.8 m -100.27 17.85 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.151 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 75.82 2.52 70.81 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.446 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.494 ' CD1' HG23 ' A' ' 79' ' ' VAL . 4.0 m-85 -82.4 117.14 22.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.865 0.364 . . . . 0.0 110.833 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -87.21 -31.55 20.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.92 119.07 31.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -62.49 -41.01 98.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 31.9 mt -69.07 -33.86 74.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -60.86 -40.59 93.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -66.66 -48.16 70.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 28.3 t -65.48 -37.26 86.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 43.5 mmm-85 -62.5 -51.4 67.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.824 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 89.7 t -70.84 -45.48 73.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.095 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.467 ' CD1' HG23 ' A' ' 58' ' ' ILE . 13.3 t80 -61.26 -35.47 77.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 63.6 tttt -56.83 -49.24 76.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 30.0 mttm -77.35 -25.71 51.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.97 -50.04 75.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.543 HG23 ' H ' ' A' ' 97' ' ' ALA . 1.9 t -104.94 -12.1 16.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.81 -8.47 68.2 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.521 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.543 ' H ' HG23 ' A' ' 95' ' ' THR . . . -137.76 153.78 49.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.764 0.316 . . . . 0.0 111.122 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.426 ' CB ' ' HD2' ' A' ' 99' ' ' PRO . 0.6 OUTLIER -69.23 166.37 29.94 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.728 0.775 . . . . 0.0 110.826 -179.789 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.426 ' HD2' ' CB ' ' A' ' 98' ' ' SER . 53.6 Cg_endo -69.78 -36.78 10.13 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.728 2.286 . . . . 0.0 112.306 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 67.9 m -68.61 -32.73 72.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.831 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -66.85 -48.23 69.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.941 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -58.01 -46.37 85.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 -71.9 -30.58 65.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.15 -27.13 68.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 82.42 12.0 81.15 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.522 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 9.2 t -84.46 126.86 33.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.775 0.321 . . . . 0.0 110.875 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.901 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.1 ttt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.728 0.299 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.31 147.64 25.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.837 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 31.7 m120 -65.11 -28.71 69.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 33.0 mtt-85 -70.96 -49.43 45.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.817 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 31.1 m -69.16 -37.3 76.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.137 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.4 ttt-85 -54.11 -37.53 64.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.404 ' HB3' HG12 ' A' ' 30' ' ' VAL . 1.5 tp10 -72.39 -32.98 66.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.858 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.54 ' HB1' ' CG1' ' A' ' 26' ' ' VAL . . . -73.92 -47.25 39.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.153 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.564 ' HA ' HD12 ' A' ' 12' ' ' ILE . 12.8 p -62.18 -31.2 71.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 28.7 tp60 -68.52 -35.5 77.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.939 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -69.36 -43.79 72.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.975 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.564 HD12 ' HA ' ' A' ' 9' ' ' CYS . 5.6 mt -61.21 -36.06 70.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.14 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.9 t -57.14 -38.53 73.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -67.31 -33.84 76.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -99.09 17.96 18.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.892 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.9 tp -55.61 -26.24 43.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.947 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.12 -20.92 21.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.073 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -62.07 139.54 58.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.5 p -81.78 -51.61 7.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -85.27 107.28 17.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.867 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.579 ' HZ ' HG21 ' A' ' 26' ' ' VAL . 24.8 t80 -111.69 132.95 54.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -116.09 113.78 23.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.2 tt -64.13 -28.85 45.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.152 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.49 -44.96 92.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.072 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.5 m -62.97 -29.54 70.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.843 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.579 HG21 ' HZ ' ' A' ' 21' ' ' PHE . 88.0 t -68.72 -39.12 79.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.119 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.595 ' HB1' ' O ' ' A' ' 32' ' ' LEU . . . -67.18 -42.52 84.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.11 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -63.34 -37.16 86.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -58.02 -34.88 70.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.853 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.592 HG23 ' HB2' ' A' ' 32' ' ' LEU . 27.0 m -96.69 14.77 3.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.14 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 60.3 m 51.46 38.18 21.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.595 ' O ' ' HB1' ' A' ' 27' ' ' ALA . 1.2 mt -140.99 162.37 35.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.1 m -80.31 160.11 68.61 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.639 0.733 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -35.58 12.45 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.65 2.233 . . . . 0.0 112.381 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.6 m -67.0 -47.14 72.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 -72.75 -38.18 67.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.557 HD22 ' HA ' ' A' ' 27' ' ' ALA . 25.1 tp -69.41 -39.27 78.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 84.3 p -59.23 -39.97 84.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -59.51 -48.81 80.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.832 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.0 mt -71.21 -31.2 67.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.942 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.56 ' CD2' HG22 ' A' ' 49' ' ' VAL . 0.4 OUTLIER -67.81 -50.98 53.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.1 mtp180 -70.96 -27.58 63.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.859 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 20.4 tp60 -79.86 -39.96 29.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 74.7 mm-40 -80.9 -40.64 24.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.419 HD23 ' N ' ' A' ' 45' ' ' LEU . 4.6 mt -89.44 -18.72 26.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 78.75 -2.71 67.11 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.502 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.461 HD13 ' H ' ' A' ' 47' ' ' ILE . 0.1 OUTLIER -149.41 168.94 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.814 0.34 . . . . 0.0 111.139 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.5 m -76.54 155.5 33.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.843 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.56 HG22 ' CD2' ' A' ' 41' ' ' PHE . 35.2 t -53.59 -39.33 37.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -54.65 -44.22 73.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.8 m -73.14 -43.76 61.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -59.15 -40.55 85.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.951 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -60.17 -47.22 86.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.05 -38.28 87.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -67.06 -36.88 83.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 35.6 mm-40 -66.72 -45.08 79.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.7 ptt180 -70.26 -41.17 73.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 26.3 mm -70.4 -32.41 50.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.126 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.5 t -66.83 -39.4 87.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.837 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 39.1 tp60 -67.27 -40.6 86.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.465 ' HB2' HG11 ' A' ' 79' ' ' VAL . . . -57.09 -46.11 82.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp -71.38 -32.99 69.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.1 tt -67.22 -50.08 62.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.934 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.417 ' O ' HG23 ' A' ' 68' ' ' THR . 2.4 pp -69.92 -37.68 76.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 1.001 HD21 HG21 ' A' ' 75' ' ' VAL . 14.9 mt -64.79 -28.81 69.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 28.7 t -71.04 -17.31 62.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.541 HG23 HG23 ' A' ' 68' ' ' THR . 10.0 t -120.48 2.03 10.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.114 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.541 HG23 HG23 ' A' ' 67' ' ' THR . 35.5 p -133.23 161.66 33.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.156 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.49 18.42 10.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 59.6 mtm -62.54 156.28 63.85 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.626 0.727 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.5 ' O ' HG23 ' A' ' 75' ' ' VAL . 53.5 Cg_endo -69.8 166.46 27.56 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.695 2.264 . . . . 0.0 112.334 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 37.3 mm -61.51 -30.84 49.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.69 -47.23 76.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.3 m -69.07 -47.26 65.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.123 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 1.001 HG21 HD21 ' A' ' 65' ' ' LEU . 86.2 t -56.18 -40.76 66.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.156 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.481 ' O ' HG22 ' A' ' 79' ' ' VAL . . . -56.73 -41.69 90.58 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.457 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 69.7 mtt180 -57.54 -33.94 68.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.866 0.365 . . . . 0.0 110.89 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -63.7 -31.88 73.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.5 HG23 ' CD1' ' A' ' 81' ' ' PHE . 33.7 m -98.14 17.6 2.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 74.12 4.42 67.94 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.477 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.5 ' CD1' HG23 ' A' ' 79' ' ' VAL . 3.5 m-85 -82.5 116.99 22.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.863 0.363 . . . . 0.0 110.856 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -81.74 -31.67 31.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -99.5 119.07 37.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.469 ' H ' ' NE2' ' A' ' 84' ' ' GLN . 0.0 OUTLIER -62.28 -35.1 77.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.92 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.7 mt -69.62 -35.42 75.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.95 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -60.25 -40.52 90.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -66.85 -46.08 76.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.85 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.6 p -65.49 -37.39 86.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.8 mtt-85 -62.56 -51.03 68.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 92.7 t -70.6 -45.61 73.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.145 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -61.36 -35.73 78.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 55.3 tttt -56.98 -48.49 78.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.29 -25.62 55.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 3.8 t -57.91 -50.01 74.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 47.0 p -106.17 -11.05 16.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.11 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.73 -7.36 67.94 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.47 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.65 148.49 45.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.737 0.303 . . . . 0.0 111.125 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.13 162.45 39.33 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.664 0.745 . . . . 0.0 110.841 -179.755 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -32.58 18.44 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.658 2.238 . . . . 0.0 112.313 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.9 p -67.31 -34.12 76.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.63 -47.53 31.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -60.14 -45.97 91.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 25.5 tpt85 -59.3 -40.4 86.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.854 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -67.11 -26.45 66.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 89.71 -9.2 77.99 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.516 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 35.5 t -68.37 121.07 15.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.744 0.307 . . . . 0.0 110.873 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.828 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.799 0.333 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -78.56 148.62 33.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -54.77 -32.86 60.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.0 tpp180 -70.94 -44.62 65.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.605 HG13 ' CD1' ' A' ' 41' ' ' PHE . 97.8 t -69.07 -39.7 79.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 -56.44 -35.19 67.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.71 -41.4 99.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.429 ' HB2' HG11 ' A' ' 30' ' ' VAL . . . -70.28 -36.28 74.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.058 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 66.5 m -60.24 -36.71 78.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.925 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 62.0 tp60 -61.38 -36.52 80.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.513 ' HD2' HG22 ' A' ' 26' ' ' VAL . 40.8 t80 -68.01 -44.07 77.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.9 mt -64.26 -36.95 78.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.123 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.4 t -66.34 -44.76 82.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -67.41 -25.33 65.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.877 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -100.49 18.05 20.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.817 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.0 tt -63.49 -26.52 68.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.53 -21.01 22.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.045 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.88 142.61 57.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.909 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.3 t -80.5 -48.35 12.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -84.49 97.6 9.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -107.77 108.58 19.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.572 ' OD2' ' HB3' ' A' ' 24' ' ' ALA . 1.0 OUTLIER -116.85 132.98 56.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 13.3 tt -69.25 -23.14 26.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.111 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.572 ' HB3' ' OD2' ' A' ' 22' ' ' ASP . . . -58.93 -40.88 85.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.9 t -70.12 -29.59 66.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.805 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.513 HG22 ' HD2' ' A' ' 11' ' ' TYR . 86.7 t -68.05 -47.21 79.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.12 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.598 ' HB1' ' O ' ' A' ' 32' ' ' LEU . . . -63.04 -40.16 96.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.083 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -63.97 -36.98 85.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -57.86 -34.59 69.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.429 HG11 ' HB2' ' A' ' 8' ' ' ALA . 27.9 m -98.49 16.11 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 87.2 m 51.52 36.63 17.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.598 ' O ' ' HB1' ' A' ' 27' ' ' ALA . 7.1 tp -136.14 164.42 28.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.3 m -81.94 159.67 65.24 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.643 0.735 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 -39.09 6.85 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.626 2.217 . . . . 0.0 112.294 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.0 t -64.62 -46.82 80.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.877 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.4 tpt180 -71.54 -35.16 70.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.0 tp -68.5 -44.52 74.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 75.7 m -59.44 -39.95 85.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -59.46 -49.09 79.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.4 mt -71.85 -32.04 67.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.605 ' CD1' HG13 ' A' ' 5' ' ' VAL . 0.6 OUTLIER -61.14 -50.63 72.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.925 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.433 ' HA ' ' O ' ' A' ' 47' ' ' ILE . 48.5 ttt180 -69.9 -23.88 63.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -78.78 -43.47 25.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 57.1 mm-40 -81.92 -40.46 22.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.536 HD21 ' CD1' ' A' ' 52' ' ' TRP . 0.3 OUTLIER -88.0 -14.55 38.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.35 4.54 51.46 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.489 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.444 ' CG1' HD22 ' A' ' 45' ' ' LEU . 28.2 pt -150.14 163.29 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.83 0.348 . . . . 0.0 111.107 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 t -74.38 146.15 43.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.7 p -54.27 -32.86 24.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.14 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.9 tp -62.79 -45.99 90.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.5 m -73.03 -38.55 66.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.536 ' CD1' HD21 ' A' ' 45' ' ' LEU . 43.6 t90 -58.28 -40.51 82.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.932 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -47.32 81.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -62.61 -46.31 88.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.37 -41.15 93.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.872 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -70.3 -34.98 73.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 -57.81 -47.07 83.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.575 HG21 ' SG ' ' A' ' 94' ' ' CYS . 50.1 mm -73.4 -45.01 53.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.142 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 60.4 m -58.54 -33.62 70.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 38.2 tp60 -70.06 -44.59 68.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.433 ' O ' HD12 ' A' ' 65' ' ' LEU . . . -70.77 -36.85 73.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.27 -43.55 64.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.7 tp -57.88 -50.54 72.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.918 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.47 HD12 ' OG1' ' A' ' 68' ' ' THR . 1.8 pp -68.95 -36.79 78.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.621 HD21 HG21 ' A' ' 75' ' ' VAL . 6.0 mt -59.81 -28.99 67.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 58.6 m -71.64 -26.01 62.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.452 HG23 HG23 ' A' ' 68' ' ' THR . 7.6 t -110.58 5.91 21.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.155 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.47 ' OG1' HD12 ' A' ' 64' ' ' LEU . 44.5 p -133.27 160.47 37.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.166 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.21 18.28 10.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.879 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 53.7 mtm -68.62 153.36 95.9 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.58 0.705 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 158.06 58.2 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.704 2.269 . . . . 0.0 112.322 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 6.0 mt -51.76 -35.4 17.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.441 ' HB2' ' OE1' ' A' ' 84' ' ' GLN . . . -59.54 -47.23 86.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.091 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 90.9 m -66.61 -49.07 67.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.196 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.621 HG21 HD21 ' A' ' 65' ' ' LEU . 39.5 t -57.96 -39.99 74.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.17 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.81 -32.48 58.99 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.489 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.5 -33.36 75.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.851 0.357 . . . . 0.0 110.93 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -66.07 -31.44 72.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 15.6 m -92.32 11.45 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.124 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 76.35 3.4 76.95 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.523 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -94.89 116.57 28.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.83 0.348 . . . . 0.0 110.894 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -85.5 -26.67 26.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -87.07 118.87 26.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.441 ' OE1' ' HB2' ' A' ' 73' ' ' ALA . 27.1 tt0 -62.62 -38.09 88.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -67.71 -32.98 73.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -62.12 -48.52 79.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -66.62 -43.69 84.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.928 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.8 p -64.79 -37.42 87.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.846 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 60.1 mtt180 -62.74 -50.44 71.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 88.9 t -70.22 -46.01 73.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.527 ' HD2' HG23 ' A' ' 58' ' ' ILE . 58.2 t80 -61.36 -36.29 79.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.63 -47.28 82.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? -75.55 -25.03 56.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.962 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.575 ' SG ' HG21 ' A' ' 58' ' ' ILE . 13.5 t -55.4 -49.78 71.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 40.5 p -110.74 -8.87 14.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.93 -6.49 66.94 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.462 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -137.63 148.45 45.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.829 0.347 . . . . 0.0 111.128 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.1 162.14 42.0 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.663 0.744 . . . . 0.0 110.826 -179.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -32.26 19.12 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.73 2.287 . . . . 0.0 112.34 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.468 ' O ' ' HB2' ' A' ' 104' ' ' ALA . 54.7 p -67.28 -34.15 76.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -74.58 -47.69 31.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.925 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -65.72 -47.47 75.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.3 -30.12 70.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.468 ' HB2' ' O ' ' A' ' 100' ' ' SER . . . -60.53 -28.4 68.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 82.18 12.0 81.48 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.481 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 9.9 t -88.34 124.4 33.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.796 0.331 . . . . 0.0 110.841 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.942 . . . . . . . . 0 0 . 1 stop_ save_